Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8128739 | 0.87 | EGFR (0.46) | CA1CA2KMT2ANPC1CYP3A4 | |
| SCHEMBL8481431 | 0.87 | ALDH1A1 (0.56) | CA1CA2KMT2ANPC1CYP3A4 | |
| SCHEMBL8480798 | 0.85 | CA1 (0.53) | CA1CA2KMT2ACYP3A4CYP2D6 | |
| SCHEMBL13963805 | 0.79 | KMT2A (0.62) | CA1CA2KMT2ACYP3A4CYP2D6 | |
| SCHEMBL8017091 | 0.77 | CYP3A4 (0.55) | CA1CA2CYP3A4ALDH1A1GAA | |
| SCHEMBL3468486 | 0.77 | LMNA (0.63) | CA1CA2KMT2ANPC1CYP3A4 | |
| SCHEMBL18170324 | 0.76 | MAPK1 (0.51) | CA1CA2KMT2ACYP3A4CYP2D6 | |
| SCHEMBL18044458 | 0.76 | CA1 (0.47) | CA1CA2KMT2ANPC1CYP3A4 | |
| SCHEMBL21166953 | 0.75 | CA1 (0.59) | CA1CA2KMT2AMAPTALDH1A1 | |
| SCHEMBL4743101 | 0.75 | HPGD (0.64) | KMT2ANPC1MAPTNPSR1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5914406-A | ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA | HOFFMAN-LA ROCHE INC. (US) | 1999-06-22 | — | — | US | disclosed |
| US-5750706-A | TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA | HOFFMANN-LA ROCHE INC. (US) | 1998-05-12 | — | — | US | disclosed |
| US-5583222-A | ANTIINFLAMMATORY AGENTS FOR TREATMENT OF SKIN DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1996-12-10 | — | — | US | disclosed |