Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.43 |
| ▸ | STS | P08842 | 8/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | LPL | P06858 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CCR3 | P51677 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9448151 | 0.92 | SRD5A1 (0.40) | TRPV1STSSRD5A1CA1CA2 | |
| SCHEMBL9448013 | 0.91 | STS (0.40) | TRPV1STSSRD5A1CA1CA2 | |
| SCHEMBL9448009 | 0.91 | STS (0.40) | TRPV1STSSRD5A1CA1CA2 | |
| SCHEMBL9448104 | 0.84 | GRM7 (0.42) | STSMEN1KMT2A | |
| SCHEMBL9448176 | 0.83 | SRD5A1 (0.41) | STSSRD5A1MAPT | |
| SCHEMBL9448180 | 0.83 | SRD5A1 (0.41) | STSSRD5A1MAPT | |
| SCHEMBL9448251 | 0.82 | SRD5A1 (0.39) | TRPV1STSSRD5A1MEN1MAPT | |
| SCHEMBL9448258 | 0.82 | SRD5A1 (0.39) | TRPV1STSSRD5A1MEN1MAPT | |
| Hydrochloric Acid SCHEMBL9448117 | 0.82 | SRD5A1 (0.40) | STSSRD5A1MAPT | |
| Hydrochloric Acid SCHEMBL9448438 | 0.81 | SRD5A1 (0.38) | TRPV1STSSRD5A1MEN1MAPT |
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-5248677-A | Nervous system disorders or antidepressants | ABBOTT LABORATORIES (US) | 1993-09-28 | — | — | US | disclosed |
| US-5180733-A | Antidepressants or nervous systen disorders | ABBOTT LABORATORIES (US) | 1993-01-19 | — | — | US | disclosed |
| EP-0461353-A1 | Biogenic amine uptake inhibitors | ABBOTT LABORATORIES (US) | 1991-12-18 | — | — | EP | disclosed |