Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.66 |
| ▸ | CRHBP | P24387 | 3/20 | 0.66 |
| ▸ | CRHR2 | Q13324 | 3/20 | 0.66 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | EP300 | Q09472 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21601096 | 0.85 | SIRT1 (0.79) | ALDH1A1CRHBPCRHR2SIRT1KMT2A | |
| SCHEMBL17199432 | 0.84 | ALDH1A1 (0.67) | ALDH1A1CRHBPCRHR2SIRT1KMT2A | |
| SCHEMBL12345520 | 0.82 | ALDH1A1 (0.65) | ALDH1A1CRHBPCRHR2SIRT1KMT2A | |
| SCHEMBL2074007 | 0.82 | ALDH1A1 (0.65) | ALDH1A1CRHBPCRHR2SIRT1KMT2A | |
| SCHEMBL658436 | 0.82 | ALDH1A1 (0.65) | ALDH1A1CRHBPCRHR2SIRT1KMT2A | |
| SCHEMBL2074727 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CRHBPCRHR2SIRT1KMT2A | |
| SCHEMBL435198 | 0.82 | SIRT1 (0.71) | ALDH1A1CRHBPCRHR2SIRT1KMT2A | |
| SCHEMBL3076077 | 0.80 | KMT2A (0.65) | ALDH1A1CRHBPCRHR2KMT2A | |
| SCHEMBL9196949 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CRHBPCRHR2KMT2AHPGD | |
| SCHEMBL3076148 | 0.80 | KMT2A (0.56) | ALDH1A1CRHBPCRHR2SIRT1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3737470-B1 | 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS | Celon Pharma Sa (PL) | 2022-12-14 | — | — | EP | disclosed |
| US-11161823-B2 | Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof | NATIONAL GUARD HEALTH AFFAIRS (SA) | 2021-11-02 | — | — | US | disclosed |
| US-20200290975-A1 | ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF | NATIONAL GUARD HEALTH AFFAIRS (SA) | 2020-09-17 | — | — | US | disclosed |
| US-20130296327-A1 | SUBSTITUTED HETEROCYLIC COMPOUNDS | INCYTE CORPORATION | 2013-11-07 | — | — | US | disclosed |
| US-20130296327-A1 | SUBSTITUTED HETEROCYLIC COMPOUNDS | INCYTE CORPORATION | 2013-11-07 | — | — | US | disclosed |
| US-20130296327-A1 | SUBSTITUTED HETEROCYLIC COMPOUNDS | INCYTE CORPORATION | 2013-11-07 | — | — | US | disclosed |
| US-8481732-B2 | Substituted heterocyclic compounds | INCYTE CORPORATION (US) | 2013-07-09 | — | — | US | disclosed |
| US-8481732-B2 | Substituted heterocyclic compounds | INCYTE CORPORATION (US) | 2013-07-09 | — | — | US | disclosed |
| US-8481732-B2 | Substituted heterocyclic compounds | INCYTE CORPORATION (US) | 2013-07-09 | — | — | US | disclosed |
| US-8383642-B2 | Spiropiperidine compounds | ELI LILLY AND COMPANY (US) | 2013-02-26 | — | — | US | disclosed |
| US-20110092531-A1 | Novel Spiropiperidine Compounds | ELI LILLY AND COMPANY (US) | 2011-04-21 | — | — | US | disclosed |
| US-20100240671-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | INCYTE CORPORATION (US) | 2010-09-23 | — | — | US | disclosed |
| US-20100240671-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | INCYTE CORPORATION (US) | 2010-09-23 | — | — | US | disclosed |
| US-20100240671-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | INCYTE CORPORATION (US) | 2010-09-23 | — | — | US | disclosed |
| WO-2010108059-A1 | SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR | INCYTE CORPORATION (US) | 2010-09-23 | — | — | WO | disclosed |
| US-7790882-B2 | Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst | Carreira, Erick M. (CH) | 2010-09-07 | — | — | US | disclosed |
| US-20050277772-A1 | Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst | Carreira, Erick (CH) | 2005-12-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-11161823-B2 | Anticancer 1,3-dioxane-4,6-dione derivatives and method of combinatorial synthesis thereof | PDK1, PDHA1, PDHA2 | ALDH1A1 7/4885CRHBP 3904/4885CRHR2 3663/4885 |
| US-20130296327-A1 | SUBSTITUTED HETEROCYLIC COMPOUNDS | HRH4, HRH2, HRH1 | ALDH1A1 1903/4885CRHBP 2876/4885CRHR2 930/4885 |
| US-20110092531-A1 | Novel Spiropiperidine Compounds | REN, SLC5A1, SLC5A2 | ALDH1A1 564/4885CRHBP 1360/4885CRHR2 1090/4885 |
| US-20050277772-A1 | Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst | C1R, ARL1, C5 | ALDH1A1 2507/4885CRHBP 4732/4885CRHR2 3803/4885 |
| US-20100240671-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | HRH4, HRH2, HRH1 | ALDH1A1 2399/4885CRHBP 2850/4885CRHR2 646/4885 |
| US-20200290975-A1 | ANTICANCER 1,3-DIOXANE-4,6-DIONE DERIVATIVES AND METHOD OF COMBINATORIAL SYNTHESIS THEREOF | PDK1, PDHA1, PDHA2 | ALDH1A1 7/4885CRHBP 3904/4885CRHR2 3663/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.