Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.50 |
| ▸ | DBH | P09172 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | KRAS | P01116 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29240575 | 0.91 | TPMT (0.61) | TPMTLMNAABCB1MEN1KMT2A | |
| SCHEMBL7368386 | 0.88 | TTR (0.58) | TPMTLMNAABCB1MEN1KMT2A | |
| SCHEMBL29493652 | 0.87 | TPMT (0.74) | TPMTABCB1MEN1KMT2AABCC1 | |
| SCHEMBL1447399 | 0.87 | TPMT (0.74) | TPMTABCB1MEN1KMT2AABCC1 | |
| SCHEMBL8462586 | 0.85 | TPMT (0.59) | TPMTABCB1MEN1KMT2AABCC1 | |
| SCHEMBL7373096 | 0.85 | TSHR (0.59) | TPMTABCB1MEN1KMT2AABCC1 | |
| SCHEMBL1447496 | 0.85 | TPMT (0.55) | TPMTABCB1MEN1KMT2AABCC1 | |
| SCHEMBL30283302 | 0.85 | TSHR (0.59) | TPMTABCB1MEN1KMT2AABCC1 | |
| SCHEMBL30740961 | 0.85 | TPMT (0.59) | TPMTABCB1MEN1KMT2AABCC1 | |
| SCHEMBL29493658 | 0.85 | TPMT (0.55) | TPMTABCB1MEN1KMT2AABCC1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118388357-A | Heteroatom-containing chalcone derivative and preparation method and application thereof | 广东省中医院（广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院） | 2024-07-26 | — | — | CN | disclosed |
| WO-2022033612-A1 | 7-(3,4-DIMETHOXY-5-SELENOMETHYLPHENYL)-PYRROLO[2,3-D]PYRIMIDINE AND USE THEREOF | 广东省科学院动物研究所 | 2022-02-17 | — | — | WO | disclosed |
| US-5705703-A | ENZYME INHIBITORS OF TRANSFERASES | HOFFMANN-LA ROCHE INC. (US) | 1998-01-06 | — | — | US | disclosed |
| US-5633371-A | ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5476875-A | Catechol derivatives | HOFFMAN-LA ROCHE INC. (US) | 1995-12-19 | — | — | US | disclosed |
| US-5389653-A | Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease | HOFFMAN-LA ROCHE INC. (US) | 1995-02-14 | — | — | US | disclosed |
| US-5236952-A | Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa | HOFFMANN-LA ROCHE INC. (US) | 1993-08-17 | — | — | US | disclosed |
| EP-0237929-B1 | 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-06-02 | — | — | EP | disclosed |
| EP-0237929-A1 | 3,5-Disubstituted pyrocatechol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-23 | — | — | EP | disclosed |