Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 1/20 | 0.62 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.62 |
| ▸ | 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 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28090492 | 0.92 | CA12 (0.69) | MMP3BCL2L1CA12CA1CA2 | |
| Phenol SCHEMBL18486356 | 0.92 | CA12 (0.69) | MMP3BCL2L1CA12CA1CA2 | |
| Biphenyl SCHEMBL27082161 | 0.89 | ALDH1A1 (0.60) | MMP3BCL2L1CA12CA1CA2 | |
| Biphenyl SCHEMBL10535523 | 0.89 | ALDH1A1 (0.60) | MMP3BCL2L1CA12CA1CA2 | |
| Biphenyl SCHEMBL7872898 | 0.86 | ALDH1A1 (0.50) | MMP3BCL2L1CA12CA1CA2 | |
| Hydroquinone SCHEMBL7648401 | 0.86 | CA12 (0.59) | MMP3BCL2L1CA12CA1CA2 | |
| Hydroquinone SCHEMBL9287383 | 0.86 | CA12 (0.59) | MMP3BCL2L1CA12CA1CA2 | |
| Biphenyl SCHEMBL4388996 | 0.86 | ALDH1A1 (0.56) | MMP3BCL2L1CA12CA1CA2 | |
| Biphenyl SCHEMBL7877163 | 0.86 | ALDH1A1 (0.56) | MMP3BCL2L1CA12CA1CA2 | |
| Biphenyl SCHEMBL7871107 | 0.86 | ALDH1A1 (0.56) | MMP3BCL2L1CA1CA2TDP1 |
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-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |