Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | FPR3 | P25089 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 5/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15906233 | 0.88 | EPHX1 (0.38) | ALDH1A1EPHX1MAPK1SIGMAR1SSTR4 | |
| SCHEMBL15906207 | 0.87 | CNR1 (0.42) | ALDH1A1EPHX1SSTR4SMN1; SMN2NPC1 | |
| SCHEMBL14652181 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CSNK2A2CSNK2A1MAPK1SIGMAR1 | |
| SCHEMBL15906245 | 0.77 | EPHX1 (0.47) | ALDH1A1EPHX1MAPK1SSTR4ADRA2A | |
| SCHEMBL14655013 | 0.76 | EPHX1 (0.46) | ALDH1A1EPHX1MAPK1SSTR4ADRA2A | |
| SCHEMBL15906238 | 0.76 | EPHX1 (0.46) | ALDH1A1EPHX1MAPK1SSTR4ADRA2A | |
| SCHEMBL15906201 | 0.75 | EPHX1 (0.52) | ALDH1A1EPHX1MAPK1SIGMAR1ADRA2A | |
| SCHEMBL803835 | 0.74 | EPHX1 (0.44) | ALDH1A1EPHX1MAPK1SSTR4ADRA2A | |
| SCHEMBL14654940 | 0.74 | EPHX1 (0.44) | ALDH1A1EPHX1MAPK1SSTR4ADRA2A | |
| SCHEMBL14174994 | 0.74 | SIGMAR1 (0.59) | ALDH1A1EPHX1MAPK1SIGMAR1SMN1; SMN2 |
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 |