Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27878945 | 0.85 | TRPA1 (0.46) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL28228765 | 0.82 | EPHX1 (0.47) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL20355293 | 0.82 | TAAR1 (0.47) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL21531932 | 0.80 | EPHX1 (0.57) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL21531941 | 0.80 | EPHX1 (0.57) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL21469939 | 0.80 | EPHX1 (0.57) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL5419884 | 0.79 | NPC1 (0.45) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL3440803 | 0.78 | CPA3 (0.62) | SLC6A3NPC1RAB9ACPA3 | |
| SCHEMBL757260 | 0.78 | CPA3 (0.62) | SLC6A3NPC1RAB9ACPA3 | |
| SCHEMBL13235780 | 0.76 | ALDH1A1 (0.55) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 |
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-2877485-B1 | HYDROXYSTATIN DERIVATIVES FOR TREATMENT OF ARTHROSIS | MERCK PATENT GMBH (DE) | 2018-03-14 | — | — | EP | disclosed |