Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 4/20 | 0.79 |
| ▸ | PTPRC | P08575 | 4/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | STAT6 | P42226 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | APEX1 | P27695 | 1/20 | 0.57 |
| ▸ | CASP6 | P55212 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL32670296 | 1.00 | S100A4 (0.79) | S100A4PTPRCALDH1A1MAPK1TP53 | |
| SCHEMBL161290 | 0.96 | S100A4 (0.73) | S100A4PTPRCALDH1A1MAPK1TP53 | |
| SCHEMBL9257330 | 0.90 | S100A4 (0.77) | S100A4PTPRCALDH1A1MAPK1TP53 | |
| SCHEMBL156735 | 0.89 | S100A4 (0.79) | S100A4PTPRCALDH1A1MAPK1TP53 | |
| Anthraquinone SCHEMBL27736010 | 0.89 | S100A4 (0.79) | S100A4PTPRCALDH1A1MAPK1TP53 | |
| SCHEMBL2599396 | 0.89 | PTPRC (1.00) | S100A4PTPRCALDH1A1MAPK1TP53 | |
| Anthraquinone SCHEMBL27518707 | 0.89 | S100A4 (0.79) | S100A4PTPRCALDH1A1MAPK1TP53 | |
| Water SCHEMBL11135902 | 0.87 | S100A4 (0.77) | S100A4PTPRCALDH1A1MAPK1TP53 | |
| Ammonia Solution, Strong SCHEMBL27539963 | 0.87 | S100A4 (0.77) | S100A4PTPRCALDH1A1MAPK1TP53 | |
| SCHEMBL27694074 | 0.87 | S100A4 (0.77) | S100A4PTPRCALDH1A1MAPK1TP53 |
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-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 |