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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 6/20 | 0.74 |
| ▸ | MAOA | P21397 | 3/20 | 0.74 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL1070405 | 0.96 | MAOB (0.80) | MAOBMAOASCN9A | |
| SCHEMBL4450895 | 0.96 | MAOB (0.80) | MAOBMAOASCN9A | |
| SCHEMBL8637846 | 0.95 | MAOB (0.72) | MAOBMAOASCN9A | |
| Hydrochloric Acid SCHEMBL8636518 | 0.94 | MAOB (0.71) | MAOBMAOASCN9A | |
| SCHEMBL8636182 | 0.91 | MAOB (0.78) | MAOBMAOASCN9A | |
| Safinamide SCHEMBL29358128 | 0.90 | MAOB (0.92) | MAOBMAOASCN9A | |
| Safinamide SCHEMBL1665721 | 0.90 | MAOB (0.92) | MAOBMAOASCN9A | |
| Safinamide SCHEMBL1665715 | 0.90 | MAOB (0.92) | MAOBMAOASCN9A | |
| Safinamide SCHEMBL2938424 | 0.90 | MAOB (0.92) | MAOBMAOASCN9A | |
| Safinamide SCHEMBL1665414 | 0.90 | MAOB (0.92) | MAOBMAOASCN9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0643688-B1 | SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS | PHARMACIA & UPJOHN SPA (IT) | 1998-07-29 | — | — | EP | disclosed |
| US-5446066-A | Antiepileptic, antidepressants, antispastic agent | FARMITALIA CARLO ERBA S.R.L. (IT) | 1995-08-29 | — | — | US | disclosed |
| EP-0643688-A1 | SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 1995-03-22 | — | — | EP | disclosed |
| WO-1994022808-A1 | SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS | FARMITALIA CARLO ERBA SRL (IT) | 1994-10-13 | — | — | WO | disclosed |