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 | |
|---|---|---|---|---|
| ▸ | GRIN2B known ✓ | Q13224 | 11/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP3 | P08254 | 1/20 | 0.52 |
| ▸ | MMP7 | P09237 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | F13A1 | P00488 | 1/20 | 0.52 |
| ▸ | TGM2 | P21980 | 1/20 | 0.52 |
| ▸ | TGM1 | P22735 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL458148 | 0.93 | SMN1; SMN2 (0.68) | SMN1; SMN2NPC1RAB9AGRIN2BHTT | |
| SCHEMBL7398367 | 0.90 | SMN1; SMN2 (0.62) | SMN1; SMN2NPC1RAB9AGRIN2BHTT | |
| SCHEMBL5239418 | 0.85 | SMN1; SMN2 (0.62) | SMN1; SMN2NPC1RAB9AGRIN2BHTT | |
| SCHEMBL5768608 | 0.85 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AGRIN2BHTT | |
| SCHEMBL7107231 | 0.85 | SMN1; SMN2 (0.65) | SMN1; SMN2NPC1RAB9AGRIN2BHTT | |
| SCHEMBL19221832 | 0.85 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AGRIN2BHTT | |
| SCHEMBL459957 | 0.85 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9AGRIN2BHTT | |
| SCHEMBL15140566 | 0.85 | SMN1; SMN2 (0.72) | SMN1; SMN2NPC1RAB9AGRIN2BHTT | |
| SCHEMBL13519706 | 0.84 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9AGRIN2BHTT | |
| SCHEMBL7399328 | 0.83 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9AGRIN2BHTT |
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-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |
| US-5563141-A | INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION | ZENECA LIMITED (GB) | 1996-10-08 | — | — | US | disclosed |
| EP-0690847-A1 | HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1996-01-10 | — | — | EP | disclosed |
| WO-1994022835-A2 | HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1994-10-13 | — | — | WO | disclosed |