Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.48 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | DBH | P09172 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8109202 | 0.85 | TPMT (0.52) | TPMTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL2127920 | 0.85 | KMT2A (0.66) | TPMTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL1447632 | 0.84 | TPMT (0.51) | TPMTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL8870958 | 0.84 | TPMT (0.49) | TPMTALDH1A1MEN1KMT2AABCB1 | |
| SCHEMBL29493652 | 0.83 | TPMT (0.74) | TPMTALDH1A1MEN1KMT2AABCB1 | |
| SCHEMBL1447399 | 0.83 | TPMT (0.74) | TPMTALDH1A1MEN1KMT2AABCB1 | |
| SCHEMBL8462586 | 0.82 | TPMT (0.59) | TPMTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL30740961 | 0.82 | TPMT (0.59) | TPMTALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL7368386 | 0.82 | TTR (0.58) | TPMTALDH1A1MEN1KMT2AABCB1 | |
| SCHEMBL27733627 | 0.81 | MEN1 (0.56) | TPMTALDH1A1MEN1KMT2AKDM4E |
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-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 |