Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11676845 | 0.87 | TSHR (0.44) | TDP1CYP2D6CYP2C19NPC1TSHR | |
| SCHEMBL11678142 | 0.86 | L3MBTL1 (0.42) | TDP1HPGDTSHRCRHBPCRHR2 | |
| SCHEMBL11675411 | 0.85 | HRH1 (0.49) | HPGDTSHRHTR1AL3MBTL1TP53 | |
| SCHEMBL11674855 | 0.85 | L3MBTL1 (0.41) | HTR1AHTR7L3MBTL1 | |
| SCHEMBL11677855 | 0.85 | HTR1A (0.38) | TDP1CRHBPCRHR2NPSR1KDM4E | |
| SCHEMBL10887269 | 0.84 | CRHBP (0.40) | CRHBPCRHR2ALDH1A1KMT2AMEN1 | |
| SCHEMBL11679410 | 0.83 | CRHBP (0.43) | NPC1HPGDTSHRRAB9AKCNA5 | |
| SCHEMBL11782481 | 0.82 | CRHBP (0.40) | TDP1RAB9ACRHBPCRHR2NPSR1 | |
| SCHEMBL11431614 | 0.82 | CRHBP (0.43) | TSHRCRHBPCRHR2NPSR1KDM4E | |
| SCHEMBL11779959 | 0.81 | MCL1 (0.38) | HPGDTSHRCRHBPCRHR2NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4051117-A | Triazole-azo-phenyl cationic dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-27 | — | — | US | disclosed |
| US-4000141-A | SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-28 | — | — | US | disclosed |
| US-3991042-A | Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-09 | — | — | US | disclosed |