Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 4/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL2241514 | 0.82 | IDO1 (0.54) | ALDH1A1BCHEMTNR1AMTNR1BIDO1 | |
| SCHEMBL7685128 | 0.82 | BCHE (0.45) | ALDH1A1BCHEMTNR1AMTNR1BIDO1 | |
| SCHEMBL7685077 | 0.81 | IDO1 (0.41) | BCHEMTNR1AMTNR1BIDO1ACHE | |
| SCHEMBL21172869 | 0.80 | MTNR1A (0.64) | BCHEMTNR1AMTNR1BSLC18A3NOTUM | |
| SCHEMBL7709416 | 0.80 | BCHE (0.43) | ALDH1A1BCHEMTNR1AMTNR1BIDO1 | |
| SCHEMBL14073847 | 0.78 | GLA (0.42) | ALDH1A1BCHEIDO1TSHRACHE | |
| SCHEMBL2250545 | 0.77 | CYP1A2 (0.46) | ALDH1A1OPRD1MTNR1A | |
| SCHEMBL27828477 | 0.76 | NLRP3 (0.42) | ALDH1A1TSHRNLRP3 | |
| SCHEMBL27765663 | 0.76 | CA1 (0.43) | — | |
| SCHEMBL14022836 | 0.75 | OPRM1 (0.42) | ALDH1A1OPRM1OPRD1OPRK1MTNR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7378552-B2 | Monoamine re-uptake inhibitors and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-05-27 | — | — | US | disclosed |
| US-6362141-B1 | ORGANOLEPTIC; PERFUMES, COSMETICS, CLEANING COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2002-03-26 | — | — | US | disclosed |
| US-6342612-B1 | FRAGRANCES | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2002-01-29 | — | — | US | disclosed |