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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 8/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.32 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 3/20 | 0.30 |
| ▸ | CCR7 | P32248 | 2/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7714502 | 0.85 | PNMT (0.34) | MEN1KMT2ANPC1RAB9ACCR5 | |
| SCHEMBL7714852 | 0.82 | CXCR5 (0.33) | NPC1RAB9ACCR5MAPTCXCR3 | |
| SCHEMBL7712833 | 0.82 | MEN1 (0.37) | MEN1KMT2ANPC1RAB9ACCR5 | |
| SCHEMBL7759563 | 0.77 | CXCR5 (0.32) | NPC1RAB9ACCR5MAPTTP53 | |
| SCHEMBL7712815 | 0.77 | MEN1 (0.33) | MEN1KMT2ANPC1MAPTALDH1A1 | |
| SCHEMBL7714808 | 0.75 | GPR183 (0.35) | CCR5ALDH1A1 | |
| SCHEMBL7712649 | 0.74 | RAB9A (0.46) | MEN1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL7712650 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL7709008 | 0.69 | GPR84 (0.36) | CCR5 | |
| SCHEMBL7714552 | 0.68 | — | — |
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-6369110-B1 | PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM | SUMITOMO PHARMACEUTICALS COMPANY (JP) | 2002-04-09 | — | — | US | disclosed |
| EP-1083166-A1 | NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 2001-03-14 | — | — | EP | disclosed |