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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MASP2 | O00187 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CTSK | P43235 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 2/20 | 0.47 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CFD | P00746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8104027 | 1.00 | KMT2A (0.50) | KMT2AMASP2MAPTCTSKCA2 | |
| Sulfuric Acid SCHEMBL5306744 | 0.94 | KMT2A (0.50) | KMT2AMASP2MAPTCTSKCA2 | |
| Benzene SCHEMBL27690342 | 0.92 | KMT2A (0.57) | KMT2AMASP2MAPTCTSKMEN1 | |
| SCHEMBL233797 | 0.92 | KMT2A (0.57) | KMT2AMASP2MAPTCTSKMEN1 | |
| Hydrochloric Acid SCHEMBL6013658 | 0.90 | KMT2A (0.55) | KMT2AMASP2MAPTCTSKMEN1 | |
| SCHEMBL9302227 | 0.83 | KMT2A (0.49) | KMT2AMASP2MAPTCTSKMEN1 | |
| SCHEMBL9304069 | 0.80 | DHODH (0.50) | KMT2AMASP2MAPTCTSKCA1 | |
| SCHEMBL4512781 | 0.80 | ALDH1A1 (0.52) | CA2CA1KDM4EPOLBCA12 | |
| SCHEMBL45762 | 0.79 | KDM4E (0.60) | KMT2AMAPTMEN1PKMKDM4E | |
| SCHEMBL30139987 | 0.79 | KDM4E (0.60) | KMT2AMAPTMEN1PKMKDM4E |
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-6211186-B1 | POLYOXYALKYLENE GLYCOL MODIFIED WITH N-HETEROCYCLE DERIVATIVE WITH AMIDINE OR GUANIDINE GROUP; DIAPER RASH, OBESITY, ACNE, PERIODONTAL DISEASE, CONTRACEPTIVES; PROTEASE AND LIPASE INHIBITORS | THE PROCTER & GAMBLE COMPANY | 2001-04-03 | — | — | US | disclosed |
| EP-1062264-A2 | ENZYME INHIBITORS | THE PROCTER & GAMBLE COMPANY (US) | 2000-12-27 | — | — | EP | disclosed |
| US-6066673-A | COMPOUND CONTAINING A POLYOXYALKYLENE GLYCOL ENCAPPED WITH A GROUP CONTAINING AN AROMATIC CARBOCYCLIC RING HAVING GUANIDINE OR AMIDINE GROUP; USE IN PERSONAL CARE APPLICATIONS ON AN ABSORBENT CARRIER; DIAPER RASH WIPES | THE PROCTER & GAMBLE COMPANY (US) | 2000-05-23 | — | — | US | disclosed |
| WO-1999046316-A2 | ENZYME INHIBITORS | THE PROCTER & GAMBLE COMPANY (US) | 1999-09-16 | — | — | WO | disclosed |
| US-4948808-A | ENZYME INHIBITORS | EISAI CO., LTD. (JP) | 1990-08-14 | — | — | US | disclosed |