Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Resorcinol SCHEMBL8467048 | 0.87 | ALDH1A1 (0.60) | ACHEALDH1A1CYP3A4CA12CA2 | |
| Metacresol SCHEMBL10695704 | 0.87 | ACHE (0.85) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| Resorcinol SCHEMBL813556 | 0.87 | ALDH1A1 (0.60) | ACHEALDH1A1CYP3A4CA12CA2 | |
| Metacresol SCHEMBL29280489 | 0.85 | ACHE (0.81) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| M-Xylene SCHEMBL9818031 | 0.84 | ACHE (0.63) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| Metacresol SCHEMBL2314567 | 0.84 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| Metacresol SCHEMBL9774388 | 0.84 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| Metacresol SCHEMBL11437600 | 0.84 | ACHE (1.00) | ACHECYP1A2CYP2C19ALDH1A1CYP3A4 | |
| Metacresol SCHEMBL10736 | 0.84 | — | — | |
| Metacresol SCHEMBL29352064 | 0.84 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5679856-A | OXYBROMINATION OF A PHENOL ETHER COMPOUND USING ELEMENTAL BROMINE IN THE PRESENCE OF HYDROGEN PEROXIDE AND A CATALYST; REACTING WITH FORMANILIDE | CIBA-GEIGY CORPORATION (US) | 1997-10-21 | — | — | US | disclosed |
| CN-1082035-A | The inhibitors of hiv protease that is used for the treatment of AIDS | LILLY CO ELI (US) | 1994-02-16 | — | — | CN | disclosed |
| US-4111966-A | DYES FOR POLYESTERS | CIBA-GEIGY CORPORATION (US) | 1978-09-05 | — | — | US | disclosed |
| US-4013642-A | OPTICAL BRIGHTENERS | CIBA-GEIGY CORPORATION (US) | 1977-03-22 | — | — | US | disclosed |