Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2831815 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP3A4TDP1MAPK1 | |
| SCHEMBL11692293 | 0.78 | ESR1 (0.47) | ALDH1A1TSHRCYP3A4TDP1MAPK1 | |
| SCHEMBL459307 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TSHRCYP3A4TDP1MAPK1 | |
| SCHEMBL314578 | 0.75 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP3A4ESR1KMT2A | |
| SCHEMBL1655689 | 0.75 | ALDH1A1 (0.60) | ALDH1A1TSHRCYP3A4TDP1MAPK1 | |
| Hydrochloric Acid SCHEMBL7930929 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4ESR1KMT2A | |
| SCHEMBL12680471 | 0.73 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4TDP1MAPK1 | |
| SCHEMBL6841550 | 0.73 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4TDP1MAPK1 | |
| Bromide SCHEMBL31286101 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TSHRCYP3A4ESR1KMT2A | |
| SCHEMBL14830543 | 0.73 | HPGD (0.56) | ALDH1A1ESR1ESR2KMT2AHTT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1309662-B1 | TRIARYLMETHANE DYES | BASF SE (DE) | 2009-01-07 | — | — | EP | claimed |
| US-6846956-B2 | Triarylmethane dyes | BASF AKTIENGESELLSCHAFT (DE) | 2005-01-25 | — | — | US | claimed |
| US-20030181740-A1 | Triarylmethane dyes | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-25 | — | — | US | claimed |
| EP-1309662-B1 | TRIARYLMETHANE DYES | BASF SE (DE) | 2009-01-07 | — | — | EP | disclosed |
| US-6846956-B2 | Triarylmethane dyes | BASF AKTIENGESELLSCHAFT (DE) | 2005-01-25 | — | — | US | disclosed |
| US-20030181740-A1 | Triarylmethane dyes | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-25 | — | — | US | disclosed |