Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL60224 | 0.80 | CYP2A6 (0.38) | CYP1A2CCR1CCR5CYP2A6TDP1 | |
| SCHEMBL17044627 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL2254594 | 0.68 | — | — | |
| SCHEMBL65563 | 0.67 | CYP2A6 (0.37) | CYP1A2RAB9ACYP2A6TDP1 | |
| SCHEMBL5693005 | 0.67 | CYP2A6 (0.37) | CYP1A2RAB9ACYP2A6TDP1 | |
| SCHEMBL512508 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL17044576 | 0.65 | — | — | |
| SCHEMBL1928516 | 0.65 | — | — | |
| SCHEMBL1587165 | 0.64 | ALDH1A1 (0.35) | CYP1A2CYP2A6TDP1 | |
| SCHEMBL1071858 | 0.64 | CYP1A2 (0.46) | METAP2CYP1A2CCR1RAB9ACCR5 |
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-5530130-A | DYEING PLASTICS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-06-25 | — | — | US | disclosed |