Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TLR4 | O00206 | 1/20 | 0.34 |
| ▸ | PLA2G6 | O60733 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15874844 | 0.81 | IDO1 (0.50) | MCL1MAPTCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4800917 | 0.81 | IDO1 (0.50) | MCL1MAPTCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4802338 | 0.76 | IDO1 (0.51) | MAPTCYP2D6CYP2C9CYP2C19PLA2G6 | |
| SCHEMBL28442398 | 0.76 | TDP1 (0.41) | CYP11B1CYP11B2CNR1CNR2ADRA2A | |
| SCHEMBL11665783 | 0.74 | TDP1 (0.44) | CYP11B1CYP11B2CNR1CNR2ADRA2A | |
| Cyclohexane SCHEMBL22288135 | 0.74 | TDP1 (0.44) | CYP11B1CYP11B2CNR1CNR2ADRA2A | |
| SCHEMBL30834543 | 0.72 | IKBKB (0.38) | CYP11B1CYP11B2CNR1CNR2MAPT | |
| SCHEMBL21733703 | 0.72 | IKBKB (0.38) | CYP11B1CYP11B2CNR1CNR2MAPT | |
| SCHEMBL13997857 | 0.72 | CYP1B1 (0.42) | MCL1MAPTCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21722167 | 0.72 | GAA (0.43) | MAPTMAPK1SMN1; SMN2ALDH1A1HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3746436-A1 | FUSED RING COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2020-12-09 | — | — | EP | disclosed |
| WO-2020035031-A1 | FUSED RING COMPOUNDS | GENENTECH, INC. (US) | 2020-02-20 | — | — | WO | disclosed |
| EP-0321274-B1 | Derivatives of thioformamide | MAY & BAKER LTD (GB) | 1994-03-30 | — | — | EP | disclosed |
| US-5151436-A | Compounds for inhibiting hair loss in men | RHONE-POULENC SANTE (FR) | 1992-09-29 | — | — | US | disclosed |
| EP-0321274-A1 | Derivatives of thioformamide | RHONE POULENC RORER LIMITED (GB) | 1989-06-21 | — | — | EP | disclosed |