Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.61 |
| ▸ | FOS | P01100 | 1/20 | 0.61 |
| ▸ | JUN | P05412 | 1/20 | 0.61 |
| ▸ | BCHE | P06276 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.57 |
| ▸ | MAOA | P21397 | 2/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10467658 | 1.00 | MAOB (0.61) | MAOBFOSJUNBCHECYP1A2 | |
| SCHEMBL29455174 | 0.89 | MAOB (0.66) | MAOBFOSJUNBCHECYP1A2 | |
| SCHEMBL16588978 | 0.89 | MAOB (0.66) | MAOBFOSJUNBCHECYP1A2 | |
| SCHEMBL5806415 | 0.86 | MAOB (0.62) | MAOBFOSJUNBCHECYP1A2 | |
| SCHEMBL19336111 | 0.86 | MAOB (0.62) | MAOBFOSJUNBCHECYP1A2 | |
| SCHEMBL7421642 | 0.84 | FOS (0.63) | MAOBFOSJUNBCHECYP1A2 | |
| SCHEMBL7421649 | 0.84 | FOS (0.63) | MAOBFOSJUNBCHECYP1A2 | |
| SCHEMBL10666534 | 0.84 | MAOB (0.59) | MAOBFOSJUNBCHECYP1A2 | |
| SCHEMBL10666536 | 0.84 | MAOB (0.59) | MAOBFOSJUNBCHECYP1A2 | |
| SCHEMBL18699266 | 0.82 | FOS (0.62) | MAOBFOSJUNBCHECYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4927958-A | ANTIULCER | HOFFMANN-LA ROCHE INC. (US) | 1990-05-22 | — | — | US | disclosed |
| EP-0282897-A2 | Ethynyl- and ethenylstyryl ketones | F. HOFFMANN-LA ROCHE AG (CH) | 1988-09-21 | — | — | EP | disclosed |