Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.63 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10076421 | 1.00 | TAAR1 (0.63) | TAAR1SLC18A2SIGMAR1SLC6A4ALDH1A1 | |
| Trifluoroacetamide SCHEMBL9181435 | 0.83 | NPC1 (0.47) | TAAR1SLC18A2SIGMAR1SLC6A4ADRB2 | |
| SCHEMBL178625 | 0.80 | TAAR1 (0.65) | TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6 | |
| SCHEMBL10076448 | 0.80 | TAAR1 (0.65) | TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6 | |
| SCHEMBL765297 | 0.80 | TAAR1 (0.65) | TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6 | |
| SCHEMBL7182179 | 0.80 | ALDH1A1 (0.50) | TAAR1SLC18A2SIGMAR1SLC6A4ALDH1A1 | |
| Methamphetamine SCHEMBL28275586 | 0.79 | NPC1 (0.68) | TAAR1SLC18A2SIGMAR1NPC1RAB9A | |
| Methamphetamine SCHEMBL28309635 | 0.79 | SIGMAR1 (0.68) | TAAR1SLC18A2SIGMAR1SLC6A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL23524368 | 0.78 | TAAR1 (0.63) | TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6 | |
| SCHEMBL7316113 | 0.78 | TAAR1 (0.63) | TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6 |
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-7205310-B2 | Pyrimidine hydantoin analogues which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2007-04-17 | — | — | US | disclosed |