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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.47 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 3/20 | 0.49 |
| ▸ | ANPEP | P15144 | 2/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | CTSC | P53634 | 1/20 | 0.46 |
| ▸ | LAP3 | P28838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL895787 | 0.87 | EPHX1 (0.73) | EPHX1ANPEPSLC6A4SLC6A2TAAR1 | |
| SCHEMBL43428 | 0.87 | EPHX1 (0.73) | EPHX1ANPEPSLC6A4SLC6A2TAAR1 | |
| SCHEMBL895668 | 0.87 | EPHX1 (0.73) | EPHX1ANPEPSLC6A4SLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL8734599 | 0.85 | EPHX1 (0.70) | EPHX1ANPEPSLC6A4SLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL8842804 | 0.85 | EPHX1 (0.70) | EPHX1ANPEPSLC6A4SLC6A2TAAR1 | |
| Amphetamine SCHEMBL973410 | 0.81 | TAAR1 (0.73) | SLC6A4ALPIPKMPTGS1XIAP | |
| Dextroamphetamine SCHEMBL973408 | 0.81 | TAAR1 (0.73) | SLC6A4ALPIPKMPTGS1XIAP | |
| Amphetamine SCHEMBL969359 | 0.81 | TAAR1 (0.73) | SLC6A4ALPIPKMPTGS1XIAP | |
| Dextroamphetamine SCHEMBL971949 | 0.81 | TAAR1 (0.73) | SLC6A4ALPIPKMPTGS1XIAP | |
| Amphetamine SCHEMBL2686522 | 0.81 | TAAR1 (0.73) | SLC6A4ALPIPKMPTGS1XIAP |
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 |
|---|---|---|---|---|---|---|---|
| EP-0762880-A1 | RETROVIRAL PROTEASE INHIBITOR COMBINATIONS | G.D. SEARLE & CO. (US) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995033464-A2 | RETROVIRAL PROTEASE INHIBITOR COMBINATIONS | G.D. SEARLE & CO. (US) | 1995-12-14 | — | — | WO | disclosed |