Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.59 |
| ▸ | GSK3B | P49841 | 2/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | TGM2 | P21980 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28873117 | 0.83 | PTPN1 (0.61) | PTPN1GSK3BCES2CES1MMP1 | |
| SCHEMBL548136 | 0.80 | ALDH1A1 (0.42) | PTPN1GSK3BHDAC1SRD5A2ALDH1A1 | |
| SCHEMBL2745403 | 0.80 | HDAC1 (0.57) | PTPN1GSK3BCES2CES1MMP1 | |
| SCHEMBL8519584 | 0.79 | NPC1 (0.55) | PTPN1CES2CES1TGM2HSD11B1 | |
| SCHEMBL1350180 | 0.79 | CES2 (0.59) | PTPN1GSK3BCES2CES1TGM2 | |
| SCHEMBL2095082 | 0.79 | PTPN1 (0.66) | PTPN1GSK3BCES2CES1MMP1 | |
| SCHEMBL29987081 | 0.78 | PTPN1 (0.75) | PTPN1GSK3BCES2CES1MMP1 | |
| SCHEMBL26135918 | 0.78 | MMP1 (0.76) | PTPN1GSK3BCES2CES1MMP1 | |
| SCHEMBL11773412 | 0.77 | MMP2 (0.47) | HDAC1HDAC8MMP2MMP8 | |
| SCHEMBL1806027 | 0.76 | ALDH5A1 (0.59) | PTPN1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| JP-11228483-A | — | — | None | — | — | JP | disclosed |
| JP-11228483-A | — | — | None | — | — | JP | disclosed |
| US-6211413-B1 | DIAZOTIZING SUBSTITUTED ANILINE WITH ORGANIC NITRITE, NITROUS ACID OR INORGANIC NITRITE IN PRESENCE OF SULFURIC ACID OR NITROSULFURIC ACID, REACTING SALT WITH ALDOXIME IN PRESENCE OF COPPER SULFATE AND HYDROPHOBIC SOLVENT, HYDROLYZING | BAYER AKTIENGESELLSCHAFT (DE) | 2001-04-03 | — | — | US | disclosed |
| JP-H11228483-A | NEW PRODUCTION OF ALKYL 4'-(TRIFLUOROMETHYL)PHENYL KETONE | NIPPON KAYAKU CO LTD | 1999-08-24 | — | — | JP | disclosed |
| JP-H11228483-A | NEW PRODUCTION OF ALKYL 4'-(TRIFLUOROMETHYL)PHENYL KETONE | NIPPON KAYAKU CO LTD | 1999-08-24 | — | — | JP | disclosed |