Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | POLB | P06746 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GALR2 | O43603 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8726017 | 0.85 | PDK1 (0.39) | KMT2AALDH1A1POLBKDM4EHPGD | |
| SCHEMBL7436807 | 0.83 | TPMT (0.43) | KMT2AALDH1A1POLBKDM4EHPGD | |
| SCHEMBL7363637 | 0.80 | TPMT (0.56) | ALDH1A1KDM4EMAPTRAB9ALMNA | |
| SCHEMBL7369436 | 0.77 | TTR (0.54) | KMT2AALDH1A1POLBKDM4EHPGD | |
| SCHEMBL8731787 | 0.75 | KMT2A (0.36) | KMT2AALDH1A1POLBKDM4EHPGD | |
| SCHEMBL7371498 | 0.75 | VCAM1 (0.51) | KMT2AALDH1A1HPGDMAPTMEN1 | |
| SCHEMBL8726106 | 0.75 | TTR (0.55) | KMT2AALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL7282357 | 0.74 | KMT2A (0.48) | KMT2AALDH1A1POLBKDM4EHPGD | |
| SCHEMBL7373621 | 0.73 | L3MBTL1 (0.48) | KMT2AALDH1A1POLBKDM4EHPGD | |
| SCHEMBL1986869 | 0.73 | TPMT (0.67) | KMT2AALDH1A1KDM4EHPGDMAPT |
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 |