Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 SCHEMBL28417451 | 0.93 | CA12 (0.50) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL2796966 | 0.90 | TDP1 (0.58) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL1335365 | 0.86 | TDP1 (0.52) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL6131182 | 0.86 | DNM1 (0.44) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL7755555 | 0.85 | TDP1 (0.58) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL10757459 | 0.85 | CA12 (0.58) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL27708114 | 0.85 | CA12 (0.46) | CA12CA1CA2GLACA3 | |
| Trientine SCHEMBL15129907 | 0.83 | TDP1 (0.44) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL28473920 | 0.83 | TDP1 (0.44) | CA12CA1CA2GLACA3 | |
| Phenol SCHEMBL11658010 | 0.82 | TDP1 (0.69) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5106975-A | Hexahydropyrimidine derivatives | ETHYL PETROLEUM ADDITIVES, INC. (US) | 1992-04-21 | — | — | US | disclosed |