Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 10/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL11351307 | 1.00 | CA12 (0.55) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL9494533 | 0.93 | CA12 (0.48) | CA12CA1CA2GLACA3 | |
| Hydroquinone SCHEMBL9576762 | 0.87 | ESR1 (0.50) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL17746170 | 0.85 | CA12 (0.55) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL8740546 | 0.84 | ALDH1A1 (0.40) | CA12CA1CA2GLACA3 | |
| Resorcinol SCHEMBL27879720 | 0.83 | ALDH1A1 (0.57) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL25438007 | 0.81 | NPSR1 (0.37) | CA12CA1CA2GLACA3 | |
| Benzene SCHEMBL27471159 | 0.81 | TSHR (0.36) | CYP3A4ALDH1A1NPSR1TSHRLMNA | |
| Phenol SCHEMBL8029599 | 0.79 | CA12 (0.61) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL10790520 | 0.79 | CA12 (0.61) | CA12CA1CA2GLACA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5225467-A | Heat resistance | WITCO CORPORATION (US) | 1993-07-06 | — | — | US | disclosed |
| EP-0540270-A1 | Cellulose ester resin stabilizer and cellulose ester resin compositions stabilized therewith | WITCO CORPORATION (US) | 1993-05-05 | — | — | EP | disclosed |