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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.44 |
| ▸ | PIK3CA known ✓ | P42336 | 2/20 | 0.44 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.44 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.43 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7877581 | 0.95 | KDM4E (0.54) | KDM4EGAAALDH1A1MAPK1FLT3 | |
| Hydrochloric Acid SCHEMBL7881789 | 0.93 | KDM4E (0.52) | KDM4EGAAALDH1A1MAPK1FLT3 | |
| Hydrochloric Acid SCHEMBL8692500 | 0.93 | KDM4E (0.52) | KDM4EGAAALDH1A1MAPK1FLT3 | |
| Hydrochloric Acid SCHEMBL27388774 | 0.93 | KDM4E (0.52) | KDM4EGAAALDH1A1MAPK1FLT3 | |
| SCHEMBL27362720 | 0.88 | SLC9A1 (0.53) | KDM4EGAAALDH1A1MAPK1FLT3 | |
| SCHEMBL7884602 | 0.82 | SLC9A1 (0.46) | FLT3DAOPDGFRB | |
| SCHEMBL7880983 | 0.82 | KDM4E (0.55) | KDM4EGAAALDH1A1MAPK1FLT3 | |
| SCHEMBL8627188 | 0.82 | KDM4E (0.51) | KDM4EGAAALDH1A1MAPK1FLT3 | |
| Hydrochloric Acid SCHEMBL7877607 | 0.81 | ALOX15 (0.40) | AKR1C3 | |
| Hydrochloric Acid SCHEMBL7879853 | 0.81 | KDM4E (0.54) | KDM4EGAAALDH1A1MAPK1FLT3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6248772-B1 | HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS | SUMITOMO PHARMACEUTICALS CO., LTD. (JP) | 2001-06-19 | — | — | US | disclosed |
| US-6169107-B1 | USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS | SUMITOMO PHARMACEUTICAL CO., LTD. (JP) | 2001-01-02 | — | — | US | disclosed |
| EP-0937459-A2 | Pharmaceutical compositions for the treatment of ischemic brain damage | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1999-08-25 | — | — | EP | disclosed |
| EP-0708091-A2 | Indoloylguanidine derivatives | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1996-04-24 | — | — | EP | disclosed |