Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 8/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8531974 | 0.85 | MAPT (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8531963 | 0.85 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10470227 | 0.81 | RXRA (0.57) | PDGFRBPDGFRACA1CA2NPC1 | |
| SCHEMBL5075969 | 0.80 | MAPT (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9324585 | 0.80 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8089726 | 0.78 | MAPT (0.38) | MAPTNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL9827926 | 0.78 | ESR1 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2997359 | 0.78 | MAPT (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8527534 | 0.77 | NQO1 (0.45) | ESR1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27470832 | 0.77 | HPGD (0.47) | CA12CA1CA2CA7CA9 |
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-5749925-A | Dyeing or printing process with new and known cationic 4,5-dihydro-iH-1,2,3-triazolium compounds as dyestuffs and new cationic 4,5-dihydro-1H-1,2,3-triazolium compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1998-05-12 | — | — | US | disclosed |