Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11651659 | 0.79 | ALDH1A1 (0.52) | TDP1ALDH1A1CES1CA1CA2 | |
| SCHEMBL2812395 | 0.78 | TDP1 (0.53) | TDP1ALDH1A1CES1CES2SRD5A2 | |
| SCHEMBL10879986 | 0.78 | TDP1 (0.53) | TDP1ALDH1A1CES1CES2SRD5A2 | |
| SCHEMBL11026039 | 0.78 | CES1 (0.54) | TDP1ALDH1A1CES1CES2CA1 | |
| SCHEMBL11637439 | 0.78 | TDP1 (0.44) | CYP1A2TDP1ALDH1A1CES1CES2 | |
| SCHEMBL11852521 | 0.78 | POLB (0.49) | TDP1ALDH1A1CES1CES2SRD5A2 | |
| SCHEMBL1244269 | 0.77 | ALDH1A1 (0.50) | TDP1ALDH1A1CES1CA1CA2 | |
| SCHEMBL522267 | 0.77 | TDP1 (0.52) | TDP1ALDH1A1CES1CES2SRD5A2 | |
| SCHEMBL3530264 | 0.77 | TDP1 (0.52) | TDP1ALDH1A1CES1CES2SRD5A2 | |
| SCHEMBL1646651 | 0.77 | TDP1 (0.52) | TDP1ALDH1A1CES1CES2SRD5A2 |
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-4018924-A | Phenyl-imidazolyl-acetamide derivatives | BAYER AKTIENGESELLSCHAFT (DT) | 1977-04-19 | — | — | US | disclosed |