Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8894594 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9SMN1; SMN2 | |
| SCHEMBL8893347 | 0.85 | SMN1; SMN2 (0.39) | SMN1; SMN2NPC1RAB9AMAPTHTT | |
| SCHEMBL8893479 | 0.79 | MAOA (0.33) | HTT | |
| SCHEMBL7452022 | 0.79 | MAOA (0.33) | HTT | |
| SCHEMBL8894588 | 0.76 | ITGB3 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9SMN1; SMN2 | |
| SCHEMBL8894579 | 0.71 | SMN1; SMN2 (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9SMN1; SMN2 | |
| SCHEMBL27490371 | 0.66 | RORC (0.42) | — | |
| SCHEMBL7456463 | 0.64 | ITGB3 (0.49) | — | |
| SCHEMBL22123601 | 0.63 | ALDH1A1 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL3660045 | 0.63 | TSHR (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-5614535-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |