Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | DPP4 | P27487 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10845162 | 1.00 | CA12 (0.55) | CA12CA1CA7CA9CA14 | |
| SCHEMBL11107735 | 0.89 | CA12 (0.49) | CA12CA1CA7CA9CA14 | |
| SCHEMBL8306734 | 0.88 | CYP3A4 (0.46) | CA12CA1CA7CA9CA14 | |
| SCHEMBL11479935 | 0.86 | TTR (0.47) | CA12CA1CA7CA9CA14 | |
| SCHEMBL8319084 | 0.85 | TAAR1 (0.43) | CA12CA1CA7CA9CA14 | |
| SCHEMBL9507338 | 0.83 | TAAR1 (0.55) | CA12CA1CA7CA9CA14 | |
| SCHEMBL9401700 | 0.83 | TAAR1 (0.55) | CA12CA1CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL7266355 | 0.82 | TBXAS1 (0.54) | CA12CA1CA7CA9CA14 | |
| SCHEMBL11476379 | 0.81 | NPC1 (0.51) | TAAR1MAOBHDAC8HDAC3HDAC4 | |
| SCHEMBL10605082 | 0.81 | RAB9A (0.40) | CA12CA1CA7CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0058079-A2 | 4-(1-Imidazolylmethyl)cinnamic acid hydrochloride monohydrate, method of preparation thereof, and pharmaceutical composition containing same | Kissei Pharmaceutical Co. Ltd. (JP) | 1982-08-18 | — | — | EP | disclosed |