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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.38 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.38 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KMT5A | Q9NQR1 | 13/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9689057 | 0.90 | CASP1 (0.50) | MEN1KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9689521 | 0.90 | MEN1 (0.72) | MEN1KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9689154 | 0.80 | CASP1 (0.50) | KMT5A | |
| SCHEMBL9690140 | 0.80 | MEN1 (0.47) | MEN1KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9690413 | 0.79 | CASP1 (0.58) | MEN1KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9133699 | 0.79 | CASP1 (0.58) | MEN1KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9128566 | 0.79 | CASP1 (0.58) | MEN1KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9689535 | 0.79 | CASP1 (0.58) | MEN1KMT2ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9689152 | 0.79 | CASP1 (0.58) | MEN1KMT2ACYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL9689562 | 0.78 | CASP1 (0.56) | MEN1KMT2ACYP3A4CYP2C9CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5120843-A | Nervous system disorders | UPJOHN (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0487510-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1992-05-27 | — | — | EP | disclosed |
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |
| EP-0293078-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1988-11-30 | — | — | EP | disclosed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |