Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | F10 | P00742 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | F7 | P08709 | 1/20 | 0.47 |
| ▸ | F3 | P13726 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14168120 | 0.91 | NPC1 (0.57) | KDM4EALDH1A1KMT2AHPGDNPC1 | |
| SCHEMBL7369879 | 0.87 | NPC1 (0.51) | KDM4EALDH1A1KMT2AHPGDNPC1 | |
| SCHEMBL7371134 | 0.87 | LMNA (0.57) | LMNAKDM4EUSP2ALDH1A1TSHR | |
| SCHEMBL31331619 | 0.86 | RAB9A (0.50) | ALDH1A1KMT2AHPGDNPC1RAB9A | |
| SCHEMBL7368553 | 0.86 | NPC1 (0.50) | ALDH1A1KMT2AHPGDNPC1RAB9A | |
| SCHEMBL7369189 | 0.86 | MRGPRX4 (0.56) | LMNAKDM4EALDH1A1KMT2AHPGD | |
| SCHEMBL7365243 | 0.85 | NPC1 (0.47) | ALDH1A1KMT2AHPGDNPC1RAB9A | |
| SCHEMBL2060104 | 0.85 | SMPD1 (0.56) | LMNAKDM4EALDH1A1HSD17B10KMT2A | |
| SCHEMBL16231335 | 0.85 | KMT2A (0.53) | KDM4EALDH1A1KMT2AHPGDNPC1 | |
| SCHEMBL7369453 | 0.84 | CTSV (0.50) | KMT2AHPGDNPC1RAB9ASMN1; SMN2 |
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 7 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 |
| 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 |