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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL2167538 | 0.91 | CA2 (0.32) | CA2 | |
| Acetic Acid SCHEMBL2166820 | 0.89 | FFAR3 (0.37) | CA2 | |
| SCHEMBL9719764 | 0.85 | CA2 (0.32) | CA2 | |
| Methane SCHEMBL28555090 | 0.81 | — | — | |
| Formic Acid SCHEMBL2168725 | 0.81 | CA1 (0.31) | — | |
| Allyl Alcohol SCHEMBL7542092 | 0.78 | — | — | |
| SCHEMBL15674186 | 0.75 | — | — | |
| Alcohol SCHEMBL20295436 | 0.74 | TSHR (0.50) | CA2KDM4ECYP3A4CA5ACA5B | |
| Ethylene Glycol SCHEMBL1560560 | 0.74 | CA2 (0.44) | CA2KDM4ECYP3A4CA5ACA5B | |
| Ethylene Glycol SCHEMBL1559508 | 0.74 | CA2 (0.44) | CA2KDM4ECYP3A4CA5ACA5B |
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-4128538-A | Crosslinking polymeric dye mordant composition reaction product of bisalkane or bisarene sulfonate and vinyl polymer | EASTMAN KODAK COMPANY (US) | 1978-12-05 | — | — | US | claimed |
| EP-0662969-A1 | UREA AND THIOUREA DERIVATIVES AND PROCESS FOR THEIR PREPARATION | PHARMACIA & UPJOHN S.p.A. (IT) | 1995-07-19 | — | — | EP | disclosed |
| WO-1995004053-A1 | UREA AND THIOUREA DERIVATIVES AND PROCESS FOR THEIR PREPARATION | PHARMACIA S.P.A. (IT) | 1995-02-09 | — | — | WO | disclosed |
| US-4128538-A | Crosslinking polymeric dye mordant composition reaction product of bisalkane or bisarene sulfonate and vinyl polymer | EASTMAN KODAK COMPANY (US) | 1978-12-05 | — | — | US | disclosed |