Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29365168 | 0.89 | TSHR (0.52) | ALDH1A1CA2CYP3A4LMNAHSD17B10 | |
| SCHEMBL30845313 | 0.89 | TSHR (0.52) | ALDH1A1CA2CYP3A4LMNAHSD17B10 | |
| SCHEMBL444774 | 0.89 | TSHR (0.52) | ALDH1A1CA2CYP3A4LMNAHSD17B10 | |
| Lithium SCHEMBL29431813 | 0.87 | TSHR (0.50) | ALDH1A1CA2CYP3A4LMNAHSD17B10 | |
| SCHEMBL7916033 | 0.87 | TSHR (0.50) | ALDH1A1CA2CYP3A4LMNAHSD17B10 | |
| SCHEMBL31511770 | 0.87 | TSHR (0.50) | ALDH1A1CA2CYP3A4LMNAHSD17B10 | |
| Hydrochloric Acid SCHEMBL31157040 | 0.87 | TSHR (0.50) | ALDH1A1CA2CYP3A4LMNAHSD17B10 | |
| SCHEMBL7916031 | 0.87 | TSHR (0.50) | ALDH1A1CA2CYP3A4LMNAHSD17B10 | |
| Questiomycin B SCHEMBL7603625 | 0.79 | ALOX15 (0.71) | ALDH1A1CA12CA2CA9CA14 | |
| Catechol SCHEMBL8517030 | 0.79 | ALOX15 (0.56) | ALDH1A1CA12CA2CA14CYP3A4 |
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-6114512-A | REACTING A TETRAZOTIZED DIAMINE COMPOUND WITH A COUPLING COMPOUND CONTAINING AMINONAPHTHOL-MONO OR DI-SULFONIC ACID COMPOUND TO FORM TETRAAZO DYE | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-05 | — | — | US | disclosed |