Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 0.73 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.73 |
| ▸ | MAPT | P10636 | 4/20 | 0.66 |
| ▸ | HPGD | P15428 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.54 |
| ▸ | PRKACA | P17612 | 1/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL22170336 | 1.00 | CYP1A1 (0.73) | CYP1A1CYP1B1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL22009094 | 0.96 | CYP1A1 (0.69) | CYP1A1CYP1B1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL22009175 | 0.92 | CYP1A1 (0.63) | CYP1A1CYP1B1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL22009093 | 0.87 | CYP1A1 (0.61) | CYP1A1CYP1B1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL5575881 | 0.86 | CYP1A1 (0.57) | CYP1A1CYP1B1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL5575875 | 0.86 | CYP1A1 (0.57) | CYP1A1CYP1B1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL10423997 | 0.84 | CYP1A1 (1.00) | CYP1A1CYP1B1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL10423998 | 0.84 | CYP1A1 (1.00) | CYP1A1CYP1B1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL22009552 | 0.84 | CYP1A1 (0.77) | CYP1A1CYP1B1MAPTHPGDSMN1; SMN2 | |
| SCHEMBL11469960 | 0.81 | NFE2L2 (0.73) | CYP1A1CYP1B1MAPTHPGDSMN1; SMN2 |
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-2009098001-A1 | ORGANOMETALLIC SKELETON COMPOUNDS ON THE BASIS OF TRIPTYCENE | BAYER MATERIALSCIENCE AG (DE) | 2009-08-13 | — | — | WO | disclosed |