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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9272210 | 0.96 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL8989218 | 0.70 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL9423066 | 0.70 | CTSS (0.46) | CYP3A4CYP2C9CYP2C19LMNANPSR1 | |
| Lifarizine SCHEMBL676318 | 0.68 | DRD2 (0.57) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| Lifarizine SCHEMBL9494261 | 0.68 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| Lifarizine SCHEMBL8963776 | 0.67 | DRD2 (0.56) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL8963806 | 0.65 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL8963684 | 0.65 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL8963681 | 0.65 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL3391962 | 0.65 | CACNA2D1 (0.61) | SMN1; SMN2LMNANPSR1OPRD1ATM |
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-5545645-A | Heterocyclic derivatives in the treatment of ischaemia and related diseases | SYNTEX PHARMACEUTICALS, LIMITED (GB) | 1996-08-13 | — | — | US | disclosed |
| US-5428037-A | Piperazine derivatives; calcium and sodium channel antagonists | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1995-06-27 | — | — | US | disclosed |