Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6445119 | 0.81 | TAAR1 (0.37) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6445116 | 0.81 | TAAR1 (0.37) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL16369356 | 0.79 | TAAR1 (0.47) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6445022 | 0.78 | TAAR1 (0.40) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6444086 | 0.78 | ALDH1A1 (0.38) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6445019 | 0.78 | ALDH1A1 (0.38) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6444089 | 0.78 | TAAR1 (0.40) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL7163321 | 0.78 | CYP1A2 (0.59) | — | |
| SCHEMBL7269232 | 0.78 | CYP1A2 (0.59) | — | |
| SCHEMBL7277365 | 0.78 | CYP1A2 (0.59) | — |
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-0374097-A2 | Use of peptide isosteres as retroviral protease inhibitors | CIBA-GEIGY AG (CH) | 1990-06-20 | — | — | EP | disclosed |