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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.51 |
| ▸ | PPIA | P62937 | 3/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | P2RY1 | P47900 | 3/20 | 0.42 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | ACP1 | P24666 | 1/20 | 0.41 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4981620 | 0.84 | PDK1 (0.53) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL4983053 | 0.80 | RAB9A (0.57) | MEN1KMT2ASMN1; SMN2NPC1CASP3 | |
| SCHEMBL8194074 | 0.79 | TRPV1 (0.49) | TRPV1MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL4985731 | 0.79 | BRD4 (0.67) | BRD4PPIAL3MBTL1TDP1GAA | |
| SCHEMBL4984085 | 0.79 | NR4A1 (0.53) | L3MBTL1MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL4984345 | 0.79 | NR1H4 (0.46) | CYP19A1L3MBTL1MEN1KMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4985654 | 0.79 | NPC1 (0.56) | MEN1KMT2ASMN1; SMN2NPC1CASP3 | |
| SCHEMBL4984277 | 0.77 | PDK1 (0.56) | L3MBTL1GAAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4984073 | 0.74 | NOX1 (0.54) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL3147715 | 0.74 | P2RY1 (0.63) | PPIAP2RY1P2RY14TRPV1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6288123-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | CAMBRIDGE NEUROSCIENCES, INC. | 2001-09-11 | — | — | US | disclosed |
| US-6143791-A | NERVOUS SYSTEM DISORDERS | CAMBRIDGE NEUROSCIENCE, INC. (US) | 2000-11-07 | — | — | US | disclosed |