Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL669469 | 0.83 | CYP2A6 (0.40) | ALDH1A1CYP2A6CYP1A2HPGDHSD17B10 | |
| SCHEMBL18258983 | 0.81 | CYP2A6 (0.39) | ALDH1A1CYP2A6CYP1A2HPGDHSD17B10 | |
| SCHEMBL29104504 | 0.81 | CYP1A2 (0.50) | ALDH1A1CYP2A6CYP1A2HPGDHSD17B10 | |
| SCHEMBL11599916 | 0.81 | CYP2A6 (0.46) | ALDH1A1CYP2A6CYP1A2HPGDHSD17B10 | |
| SCHEMBL646330 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CYP2A6CYP1A2HPGDHSD17B10 | |
| SCHEMBL1370373 | 0.81 | TSHR (0.39) | ALDH1A1HPGDKDM4ETSHRCA12 | |
| SCHEMBL668681 | 0.79 | MAPT (0.42) | ALDH1A1CYP2A6CYP1A2HPGDHSD17B10 | |
| SCHEMBL8434859 | 0.79 | CYP2A6 (0.50) | ALDH1A1CYP2A6CYP1A2HSD17B10KDM4E | |
| SCHEMBL18957552 | 0.79 | KDM4E (0.38) | ALDH1A1CYP2A6CYP1A2HPGDHSD17B10 | |
| SCHEMBL3841865 | 0.79 | CYP1A2 (0.50) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0479860-A1 | ORGANIC COMPOUNDS OF PHOSPHORUS COMPLEXED BY BORON. | ELF AQUITAINE (FR) | 1992-04-15 | — | — | EP | disclosed |
| US-4524168-A | AZO DYES | CIBA-GEIGY CORPORATION (US) | 1985-06-18 | — | — | US | disclosed |