Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 10/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SSTR1 | P30872 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15906236 | 0.88 | ALDH1A1 (0.44) | EPHX1SSTR4ALDH1A1NPC1RAB9A | |
| SCHEMBL14652173 | 0.85 | SSTR4 (0.34) | SSTR4ALDH1A1EPHX2SSTR1SIGMAR1 | |
| SCHEMBL15906207 | 0.84 | CNR1 (0.42) | EPHX1SSTR4ALDH1A1NPC1RAB9A | |
| SCHEMBL15906245 | 0.75 | EPHX1 (0.47) | EPHX1SSTR4ALDH1A1NPC1RAB9A | |
| SCHEMBL15906238 | 0.73 | EPHX1 (0.46) | EPHX1SSTR4ALDH1A1NPC1RAB9A | |
| SCHEMBL14655013 | 0.73 | EPHX1 (0.46) | EPHX1SSTR4ALDH1A1NPC1RAB9A | |
| SCHEMBL14652181 | 0.73 | ALDH1A1 (0.41) | SSTR4ALDH1A1MAPK1SSTR1SIGMAR1 | |
| SCHEMBL22556962 | 0.73 | HTR2C (0.43) | ALDH1A1 | |
| SCHEMBL13993918 | 0.73 | ALDH1A1 (0.38) | ALDH1A1MAPK1 | |
| SCHEMBL15906201 | 0.72 | EPHX1 (0.52) | EPHX1ALDH1A1NPC1RAB9AMAPK1 |
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 |