Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17596970 | 0.83 | HTR2A (0.33) | TAAR1HTR2AIDO1TDO2 | |
| SCHEMBL17596836 | 0.83 | HTR2A (0.33) | TAAR1HTR2AIDO1TDO2 | |
| Hydrochloric Acid SCHEMBL14484427 | 0.82 | IDO1 (0.36) | TAAR1HTR2AIDO1TDO2 | |
| SCHEMBL14784045 | 0.78 | SLC6A2 (0.48) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL3827602 | 0.77 | SLC6A2 (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL29362942 | 0.77 | SLC6A2 (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL14484409 | 0.74 | TAAR1 (0.44) | TAAR1HTR2ACHRNB2CHRNA4HRH1 | |
| SCHEMBL2316459 | 0.74 | HTR2A (0.62) | TAAR1HTR2ACHRNB2CHRNA4HRH1 | |
| SCHEMBL2066294 | 0.72 | TAAR1 (0.60) | TAAR1HTR2ACHRNB2CHRNA4HRH1 | |
| SCHEMBL17616528 | 0.71 | EPHX1 (0.42) | TAAR1GRIN2DGRIN3BGRIN1GRIN2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016040084-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-03-17 | — | — | WO | disclosed |