Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | ST14 | Q9Y5Y6 | 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 | |
|---|---|---|---|---|
| SCHEMBL15906234 | 0.96 | EPHX1 (0.50) | EPHX1ALDH1A1SMN1; SMN2ADRA2ARAB9A | |
| SCHEMBL15906215 | 0.93 | EPHX1 (0.48) | EPHX1ALDH1A1SMN1; SMN2ADRA2ARAB9A | |
| SCHEMBL23663375 | 0.82 | EPHX2 (0.39) | EPHX1ALDH1A1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL14652103 | 0.81 | OPRL1 (0.35) | EPHX1ALDH1A1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL11857733 | 0.81 | EPHX1 (0.46) | EPHX1ALDH1A1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL29031342 | 0.79 | EPHX1 (0.48) | EPHX1ALDH1A1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL14652101 | 0.78 | MME (0.37) | EPHX1ALDH1A1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL14654900 | 0.77 | EPHX1 (0.37) | EPHX1SMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL25676341 | 0.76 | EPHX1 (0.50) | EPHX1ALDH1A1SMN1; SMN2ADRA2ARAB9A | |
| SCHEMBL25019291 | 0.76 | EPHX1 (0.50) | EPHX1ALDH1A1SMN1; SMN2ADRA2ARAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8791257-B2 | Substituted pyrrolotriazines as protein kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-07-29 | — | — | US | disclosed |