Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.84 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.84 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.84 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.84 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.65 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.52 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31010418 | 1.00 | ALDH1A1 (0.84) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL31010417 | 1.00 | ALDH1A1 (0.84) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL29736749 | 1.00 | ALDH1A1 (0.84) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL4845352 | 1.00 | ALDH1A1 (0.84) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL4849253 | 0.97 | ALDH1A1 (0.80) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL4851928 | 0.97 | ALDH1A1 (0.80) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL4854680 | 0.97 | ALDH1A1 (0.80) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL30327475 | 0.97 | ALDH1A1 (0.80) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL4846387 | 0.92 | ALDH1A1 (0.80) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL4853205 | 0.92 | ALDH1A1 (0.89) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-62053885-A | — | — | None | — | — | JP | disclosed |
| JP-S6253885-A | OPTICAL RECORDING MEDIUM | KAO CORP | 1987-03-09 | — | — | JP | disclosed |