Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.50 |
| ▸ | ANPEP | P15144 | 2/20 | 0.50 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.47 |
| ▸ | MME | P08473 | 1/20 | 0.46 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL28055755 | 0.89 | SLC6A2 (0.66) | TAAR1SLC6A2ANPEPENPEPMAOA | |
| SCHEMBL1397444 | 0.83 | ANPEP (0.69) | TAAR1SLC6A2ANPEPENPEPMAOA | |
| SCHEMBL9622159 | 0.83 | ANPEP (0.69) | TAAR1SLC6A2ANPEPENPEPMAOA | |
| SCHEMBL14478232 | 0.83 | ANPEP (0.69) | TAAR1SLC6A2ANPEPENPEPMAOA | |
| Hydrochloric Acid SCHEMBL27656347 | 0.82 | ANPEP (0.67) | TAAR1SLC6A2ANPEPENPEPMAOA | |
| Amphetamine SCHEMBL21464672 | 0.82 | TAAR1 (0.70) | TAAR1SLC6A2ANPEPENPEPMAOA | |
| Amphetamine SCHEMBL29185448 | 0.82 | TAAR1 (0.70) | TAAR1SLC6A2ANPEPENPEPMAOA | |
| SCHEMBL5183224 | 0.81 | ANPEP (0.62) | TAAR1SLC6A2ANPEPENPEPMAOA | |
| SCHEMBL251733 | 0.81 | ANPEP (0.62) | TAAR1SLC6A2ANPEPENPEPMAOA | |
| SCHEMBL2439514 | 0.81 | ANPEP (0.62) | TAAR1SLC6A2ANPEPENPEPMAOA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105237440-A | Novel CRAC channel conditioning agent, and preparation method and applications thereof | SHANGHAI INST MATERIA MEDICA | 2016-01-13 | — | — | CN | disclosed |