Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRB | P23467 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL7078795 | 0.78 | BCHE (0.33) | PTPRBKDM4EPOLBTSHR | |
| SCHEMBL6950135 | 0.73 | PTPN1 (0.41) | PTPRBTSHRALDH1A1 | |
| SCHEMBL7369619 | 0.72 | TSHR (0.62) | MAOAMAOBKDM4ERAB9ATSHR | |
| SCHEMBL6951579 | 0.72 | ALDH1A1 (0.41) | PTPRBMAOAMAOBKDM4EPOLB | |
| SCHEMBL29181145 | 0.71 | CYP2A6 (0.48) | KDM4ETSHRALDH1A1CYP2A6 | |
| SCHEMBL20892220 | 0.71 | CYP2A6 (0.48) | KDM4ETSHRALDH1A1CYP2A6 | |
| SCHEMBL30837417 | 0.71 | CYP2A6 (0.48) | KDM4ETSHRALDH1A1CYP2A6 | |
| SCHEMBL518404 | 0.71 | CYP2A6 (0.48) | KDM4ETSHRALDH1A1CYP2A6 | |
| SCHEMBL866663 | 0.69 | TSHR (0.42) | TSHR | |
| SCHEMBL16761900 | 0.68 | ALDH1A1 (0.41) | MAOAMAOBRAB9AALDH1A1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1115729-B1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B | MERCK FROSST CANADA INC (CA) | 2003-02-19 | — | — | EP | disclosed |
| EP-1115729-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B | Merck Frosst Canada & Co. (CA) | 2001-07-18 | — | — | EP | disclosed |
| US-6174874-B1 | ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE | MERCK FROSST CANADA & CO. (CA) | 2001-01-16 | — | — | US | disclosed |
| WO-2000017211-A1 | PHOSPHONIC ACIDS DERIVATIVES AS INHIBITORS OF PTP-1B | MERCK FROSST CANADA & CO. (CA) | 2000-03-30 | — | — | WO | disclosed |