Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 6/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | DDX3X | O00571 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2453168 | 1.00 | TP53 (0.49) | TP53SMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL28416492 | 0.88 | NPC1 (0.56) | TP53SMN1; SMN2ALDH1A1HTTMEN1 | |
| SCHEMBL1026157 | 0.85 | CYP1A2 (0.46) | TP53SMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL1026158 | 0.85 | CYP1A2 (0.46) | TP53SMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL1027117 | 0.85 | MAOB (0.47) | SMN1; SMN2ALDH1A1LMNAHTTKDM4E | |
| SCHEMBL1027116 | 0.85 | MAOB (0.47) | SMN1; SMN2ALDH1A1LMNAHTTKDM4E | |
| SCHEMBL28025970 | 0.84 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1LMNAHTTTSHR | |
| SCHEMBL17221822 | 0.84 | HTT (0.43) | SMN1; SMN2ALDH1A1LMNAHTTTSHR | |
| SCHEMBL1026084 | 0.84 | MEN1 (0.63) | SMN1; SMN2ALDH1A1LMNAPKMMEN1 | |
| SCHEMBL1026082 | 0.84 | MEN1 (0.63) | SMN1; SMN2ALDH1A1LMNAPKMMEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9549927-B2 | Heteroaryl compounds and uses thereof | CELGENE AVILOMICS RESEARCH, INC. (US) | 2017-01-24 | — | — | US | disclosed |
| US-9415049-B2 | Heteroaryl compounds and uses thereof | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-08-16 | — | — | US | disclosed |
| US-20150374690-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE CAR LLC (BM) | 2015-12-31 | — | — | US | disclosed |
| US-20150174128-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2015-06-25 | — | — | US | disclosed |
| US-8344135-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-01-01 | — | — | US | disclosed |
| US-20110237620-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-09-29 | — | — | US | disclosed |
| US-20100249119-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | 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 (4 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-20100249119-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | BRAF, NRAS, RAF1 | TP53 113/4885SMN1; SMN2 4673/4885ALDH1A1 625/4885 |
| US-20110237620-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | BRAF, NR3C2, RAF1 | TP53 1429/4885SMN1; SMN2 4076/4885ALDH1A1 1374/4885 |
| US-20150374690-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | TP53 1214/4885SMN1; SMN2 2352/4885ALDH1A1 684/4885 |
| US-20150174128-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | TP53 1214/4885SMN1; SMN2 2352/4885ALDH1A1 684/4885 |
“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.