Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10902226 | 0.92 | KMT2A (0.53) | KMT2ATSHRTDP1POLBCYP3A4 | |
| SCHEMBL10902421 | 0.89 | KMT2A (0.53) | KMT2ATSHRTDP1POLBCYP3A4 | |
| SCHEMBL10896685 | 0.84 | KMT2A (0.56) | KMT2ATSHRTDP1POLBCYP3A4 | |
| SCHEMBL10891503 | 0.81 | CA1 (0.53) | KMT2ATSHRPOLBNPSR1 | |
| SCHEMBL10892360 | 0.81 | ALDH1A1 (0.45) | KMT2APOLBCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10894767 | 0.80 | GAA (0.51) | KMT2APOLBNPSR1 | |
| SCHEMBL10897197 | 0.80 | ALDH1A1 (0.48) | KMT2APOLBCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10889640 | 0.78 | CA12 (0.39) | KMT2ATDP1POLBCYP3A4CYP2D6 | |
| SCHEMBL9885409 | 0.77 | KMT2A (0.76) | KMT2ATDP1POLBCYP3A4CYP2D6 | |
| SCHEMBL10894158 | 0.76 | GAA (0.50) | KMT2APOLBCYP2C19 |
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-4588810-A | Basic triphendioxazine dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1986-05-13 | — | — | US | disclosed |