Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CCR2 | P41597 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1145559 | 0.88 | TP53 (0.48) | TP53HPGDHTTCCR2ALDH1A1 | |
| SCHEMBL29703393 | 0.81 | — | — | |
| SCHEMBL691334 | 0.81 | — | — | |
| SCHEMBL6514352 | 0.79 | TP53 (0.52) | TP53ALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| SCHEMBL6514346 | 0.79 | TP53 (0.52) | TP53ALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| SCHEMBL6516127 | 0.79 | TP53 (0.52) | TP53ALDH1A1SMN1; SMN2CYP3A4HSD17B10 | |
| SCHEMBL8485206 | 0.78 | TP53 (0.35) | TP53HPGDHTTALDH1A1CYP3A4 | |
| Ethane SCHEMBL11491185 | 0.76 | HPGD (0.40) | TP53HPGDHTTCCR2ALDH1A1 | |
| SCHEMBL8486284 | 0.73 | ITGB2 (0.42) | TP53HPGDCCR2ALDH1A1NPC1 | |
| SCHEMBL3787206 | 0.72 | CCR2 (0.46) | TP53HPGDHTTCCR2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5932731-A | HYDROLYZING A HETEROAROMATIC HALOGENATED METHYL SULFIDE IN PRESENCE OF AN ACID | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1999-08-03 | — | — | US | disclosed |
| US-5741933-A | HYDROLYSIS; OXIDATION | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1998-04-21 | — | — | US | disclosed |