Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.52 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.51 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | PNLIP | P16233 | 1/20 | 0.48 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11081190 | 0.95 | CYP1A2 (0.54) | CYP1A2CYP2C19LMNACYP2C9SERPINE1 | |
| SCHEMBL11022900 | 0.89 | DEGS1 (0.55) | LMNAUSP2HTTKDRGAA | |
| SCHEMBL7314351 | 0.88 | NR3C1 (0.60) | CYP1A2CYP2C19LMNACYP2C9NR3C1 | |
| Ammonia Solution, Strong SCHEMBL11078541 | 0.86 | DEGS1 (0.52) | LMNAUSP2HTTKDRGAA | |
| Water SCHEMBL11080124 | 0.86 | RAB9A (0.57) | HTTMEN1KMT2A | |
| SCHEMBL529779 | 0.84 | NUDT1 (0.56) | CYP1A2CYP2C19LMNACYP2C9NR3C1 | |
| SCHEMBL14440319 | 0.83 | L3MBTL1 (0.43) | CYP1A2CYP2C19CYP2C9KDRMEN1 | |
| SCHEMBL18341392 | 0.83 | SMN1; SMN2 (0.53) | CYP1A2CYP2C19LMNACYP2C9TMPRSS4 | |
| SCHEMBL14440028 | 0.83 | KDR (0.46) | CYP1A2CYP2C19LMNAHTTKDR | |
| SCHEMBL11030464 | 0.83 | CYP3A4 (0.58) | MEN1GAAKMT2AMAPTPNLIP |
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-4312870-A | TRANQUILIZERS, ANTIDEPRESSANTS | CIBA-GEIGY CORPORATION (US) | 1982-01-26 | — | — | US | disclosed |