Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11562060 | 0.99 | HSD17B10 (0.59) | HSD17B10KMT2AHPGDCYP1A2CYP3A4 | |
| SCHEMBL2577554 | 0.90 | HSD17B10 (0.48) | HSD17B10KMT2AHPGDCYP1A2CYP3A4 | |
| SCHEMBL750101 | 0.87 | HSD17B10 (0.46) | HSD17B10KMT2AHPGDCYP1A2CYP3A4 | |
| SCHEMBL13675536 | 0.87 | HSD17B10 (0.46) | HSD17B10KMT2AHPGDCYP1A2CYP3A4 | |
| SCHEMBL3353094 | 0.87 | POLB (0.55) | HSD17B10KMT2AHPGDCYP1A2CYP3A4 | |
| SCHEMBL7819909 | 0.87 | HSD17B10 (0.46) | HSD17B10KMT2AHPGDCYP1A2CYP3A4 | |
| SCHEMBL29527171 | 0.87 | POLB (0.55) | HSD17B10KMT2AHPGDCYP1A2CYP3A4 | |
| SCHEMBL23420329 | 0.86 | HSD17B10 (0.46) | HSD17B10KMT2AHPGDCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11561609 | 0.86 | HSD17B10 (0.46) | HSD17B10KMT2AHPGDCYP1A2CYP3A4 | |
| SCHEMBL7818765 | 0.86 | ALDH1A1 (0.48) | HSD17B10KMT2AHPGDCYP1A2CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022087433-A1 | COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2022-04-28 | — | — | WO | disclosed |
| WO-2016006593-A1 | NOVEL BENZOXAZINE DERIVATIVE AND MEDICINE COMPRISING SAME | 国立研究開発法人国立長寿医療研究センター | 2016-01-14 | — | — | WO | disclosed |
| EP-0894796-B1 | Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists | ADIR (FR) | 2001-06-06 | — | — | EP | disclosed |
| US-6057317-A | Heterocyclic compounds | ADIR ET COMPAGNIE (FR) | 2000-05-02 | — | — | US | disclosed |
| EP-0894796-A1 | Imidazolines substituted with a heterocyclic ring as alpha-2 antagonists | ADIR ET COMPAGNIE (FR) | 1999-02-03 | — | — | EP | disclosed |