Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.48 |
| ▸ | PDE4A | P27815 | 2/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4576841 | 0.87 | FDPS (0.57) | AKR1C3FDPSHPGDNPSR1MAPT | |
| SCHEMBL1032022 | 0.86 | MAOA (0.51) | AKR1C3PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL8889771 | 0.83 | HPGD (0.47) | PDE4BPDE4APDE4CPDE4DDRD1 | |
| SCHEMBL21410032 | 0.83 | AKR1C3 (0.47) | AKR1C3FDPSHPGDNPSR1MAPT | |
| SCHEMBL6229249 | 0.82 | FDPS (0.63) | FDPSHPGDNPSR1MAPTLMNA | |
| SCHEMBL5213944 | 0.82 | TACR2 (0.54) | AKR1C3FDPSKMT2ANPSR1MAPT | |
| SCHEMBL29721221 | 0.82 | TACR2 (0.54) | AKR1C3FDPSKMT2ANPSR1MAPT | |
| SCHEMBL9077155 | 0.82 | TACR2 (0.54) | AKR1C3FDPSKMT2ANPSR1MAPT | |
| SCHEMBL5759482 | 0.82 | FDPS (0.50) | PDE4BDRD1FDPSHPGDNPSR1 | |
| SCHEMBL4293136 | 0.81 | FDPS (0.54) | AKR1C3FDPSKMT2AHPGDNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997003967-A1 | SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE | RHONE-POULENC RORER LIMITED (GB) | 1997-02-06 | — | — | WO | disclosed |