Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | CA3 | P07451 | 1/20 | 0.58 |
| ▸ | CA4 | P22748 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 7/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 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 SCHEMBL5874437 | 0.82 | GLA (0.55) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL8375278 | 0.80 | CA12 (0.69) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL4294325 | 0.80 | CA12 (0.69) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL21753960 | 0.80 | CA12 (0.69) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL7929451 | 0.78 | CA12 (0.65) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL11227306 | 0.78 | CA12 (0.65) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL9396101 | 0.78 | CA12 (0.65) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL9302707 | 0.78 | CA12 (0.65) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL2060683 | 0.78 | CA12 (0.65) | TDP1CA12CA1CA2GLA | |
| Phenol SCHEMBL7775020 | 0.77 | CA12 (0.73) | TDP1CA12CA1CA2GLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0853079-B1 | Production of keto acids | CIBA SC HOLDING AG (CH) | 2002-06-05 | — | — | EP | claimed |