Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | METAP1 | P53582 | 1/20 | 0.44 |
| ▸ | ADH1B | P00325 | 1/20 | 0.43 |
| ▸ | ADH1C | P00326 | 1/20 | 0.43 |
| ▸ | ADH1A | P07327 | 1/20 | 0.43 |
| ▸ | ADH4 | P08319 | 1/20 | 0.43 |
| ▸ | ADH7 | P40394 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL957138 | 0.96 | CYP1A2 (0.50) | CYP1A2SIGMAR1METAP1ADH1BADH1C | |
| SCHEMBL11407095 | 0.96 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1CHRM5ADRA2C | |
| SCHEMBL6518887 | 0.96 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1CHRM5ADRA2C | |
| SCHEMBL1524766 | 0.96 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1CHRM5ADRA2C | |
| SCHEMBL6524230 | 0.96 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1CHRM5ADRA2C | |
| SCHEMBL5617552 | 0.96 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1CHRM5ADRA2C | |
| SCHEMBL6077957 | 0.96 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1CHRM5ADRA2C | |
| SCHEMBL60655 | 0.96 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1CHRM5ADRA2C | |
| SCHEMBL2573209 | 0.96 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1CHRM5ADRA2C | |
| SCHEMBL6520302 | 0.96 | CYP1A2 (0.58) | CYP1A2SIGMAR1METAP1CHRM5ADRA2C |
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-7687529-B2 | Substituted propylamine derivatives and methods of their use | WYETH LLC (US) | 2010-03-30 | — | — | US | claimed |