Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | WNT3A | P56704 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29809810 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL19380364 | 0.84 | KDM4E (0.43) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL9333827 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| Ethyl Picolinate SCHEMBL30016787 | 0.79 | CYP1A2 (0.65) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| Ethyl Picolinate SCHEMBL8661716 | 0.79 | CYP1A2 (0.65) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL504660 | 0.79 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| Ethyl Picolinate SCHEMBL126181 | 0.79 | CYP1A2 (0.65) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL20124613 | 0.78 | PKM (0.49) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL12074963 | 0.78 | CES2 (0.42) | ALDH1A1KDM4ECES2CES1LMNA | |
| Hydrochloric Acid SCHEMBL5450983 | 0.78 | KDM4E (0.44) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-116134035-A | 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors | 詹森药业有限公司 | 2023-05-16 | — | — | CN | disclosed |
| WO-2019000238-A1 | 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2019-01-03 | — | — | WO | disclosed |
| US-20170210724-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | GENENTECH, INC. (US) | 2017-07-27 | — | — | US | disclosed |
| US-20150057260-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | GENENTECH, INC. (US) | 2015-02-26 | — | — | US | disclosed |
| US-20110263540-A1 | SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH | 2011-10-27 | — | — | US | disclosed |
| US-20090081696-A1 | LUMINESCENCE ENHANCER AND USE THEREOF | FUJIREBIO INC. (JP) | 2009-03-26 | — | — | US | disclosed |
| EP-2028250-A1 | LUMINESCENCE ENHANCER | FUJIREBIO INC. (JP) | 2009-02-25 | — | — | EP | 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 (3 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-20150057260-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | NFKB2, NFKB1, NFKBIA | ALDH1A1 25/4885KDM4E 2642/4885SMN1; SMN2 1979/4885 |
| US-20170210724-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | NFKB2, NFKB1, NFKBIA | ALDH1A1 25/4885KDM4E 2642/4885SMN1; SMN2 1979/4885 |
| US-20110263540-A1 | SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS | MRPS27, MRPS22, MRPS23 | ALDH1A1 4637/4885KDM4E 3689/4885SMN1; SMN2 2620/4885 |
“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.