Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.40 |
| ▸ | ADK | P55263 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3251280 | 0.98 | ALDH1A1 (0.47) | ALDH1A1CYP3A4MAPK1TDP1ALOX15 | |
| SCHEMBL3245628 | 0.81 | CYP1A2 (0.50) | ALOX15GFERCYP19A1MAOAMAOB | |
| SCHEMBL10890416 | 0.78 | CASP1 (0.46) | ALDH1A1CYP3A4MAPK1TDP1ALOX15 | |
| SCHEMBL4810025 | 0.77 | ESR1 (0.52) | ALDH1A1CYP3A4TDP1ALOX15GFER | |
| SCHEMBL4810383 | 0.77 | MAOB (0.59) | ALDH1A1CYP3A4GFERCYP19A1MAOA | |
| SCHEMBL3251668 | 0.77 | CYP19A1 (0.57) | ALDH1A1CYP3A4MAPK1TDP1CALM1 | |
| Hydrochloric Acid SCHEMBL3244731 | 0.76 | BLM (0.52) | ALDH1A1CYP3A4TDP1ALOX15GFER | |
| Hydrochloric Acid SCHEMBL3249498 | 0.75 | CYP19A1 (0.56) | ALDH1A1CYP3A4MAPK1TDP1CALM1 | |
| SCHEMBL4405018 | 0.75 | ALDH1A1 (0.70) | ALDH1A1CYP3A4MAPK1TDP1ALOX15 | |
| Hydrochloric Acid SCHEMBL3251098 | 0.75 | MAOB (0.61) | ALDH1A1CYP3A4MAPK1TDP1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-7361198-B2 | M-diaminobenzenes, their acid adducts and the use thereof in colorants | WELLA AG (DE) | 2008-04-22 | — | — | US | disclosed |
| US-7361198-B2 | M-diaminobenzenes, their acid adducts and the use thereof in colorants | WELLA AG (DE) | 2008-04-22 | — | — | US | disclosed |