Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6529744 | 0.92 | ITGA4 (0.44) | NPC1TP53RAB9ASMN1; SMN2ITGA4 | |
| SCHEMBL6529408 | 0.87 | F2 (0.41) | NPC1RAB9ABACE1 | |
| SCHEMBL7360202 | 0.86 | ENPP2 (0.42) | MEN1KMT2A | |
| SCHEMBL6527555 | 0.86 | BACE1 (0.43) | SMN1; SMN2KMT2ABACE1CYP3A4CYP2C19 | |
| SCHEMBL6526643 | 0.86 | F2 (0.46) | BACE1PSMB1PSMB5PSMB2 | |
| SCHEMBL5074473 | 0.86 | F2 (0.53) | NPC1TP53RAB9ASMN1; SMN2ITGA4 | |
| Hydrochloric Acid SCHEMBL1548337 | 0.85 | F2 (0.53) | NPC1TP53RAB9ASMN1; SMN2ITGA4 | |
| SCHEMBL7060478 | 0.84 | BACE1 (0.39) | ITGA4ITGB7MEN1KMT2ABACE1 | |
| SCHEMBL6528687 | 0.84 | BACE1 (0.48) | BACE1ALDH1A1 | |
| SCHEMBL9041127 | 0.84 | ITGA4 (0.43) | NPC1TP53RAB9ASMN1; SMN2ITGA4 |
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 |
|---|---|---|---|---|---|---|---|
| JP-3657002-B2 | — | — | 2005-06-08 | — | — | JP | claimed |
| WO-1994004492-A1 | HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1994-03-03 | — | — | WO | claimed |