Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | BCHE | P06276 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11446990 | 0.92 | SIGMAR1 (0.52) | BCHEMEN1TSHRKMT2ASIGMAR1 | |
| SCHEMBL8948610 | 0.85 | SIGMAR1 (0.55) | BCHEMEN1TSHRKMT2ASIGMAR1 | |
| SCHEMBL8948752 | 0.85 | S1PR5 (0.54) | ALDH1A1SIGMAR1 | |
| SCHEMBL9739998 | 0.83 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL21926995 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL21926581 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL21926307 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL30994716 | 0.81 | ALDH1A1 (0.63) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL13411424 | 0.80 | CYP2D6 (0.60) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL10281961 | 0.80 | CYP2D6 (0.60) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 |
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-5532255-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-02 | — | — | US | disclosed |