Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.38 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.38 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.38 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.38 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.38 |
| ▸ | TUBB6 | Q9BUF5 | 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 | |
|---|---|---|---|---|
| SCHEMBL8731809 | 0.85 | ALDH1A1 (0.51) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL7365630 | 0.82 | ALDH1A1 (0.50) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL16868775 | 0.78 | MAOB (0.43) | ALDH1A1KDM4EMAOBTSHRAR | |
| SCHEMBL7366475 | 0.75 | ALDH1A1 (0.50) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL9723166 | 0.75 | ALDH1A1 (0.53) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL20944114 | 0.74 | ALDH1A1 (0.49) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 | |
| SCHEMBL286609 | 0.74 | TNFSF11 (0.47) | ALDH1A1IMPDH2KDM4EUSP2MAOB | |
| SCHEMBL5743633 | 0.72 | TUBB4A (0.45) | TSHRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL2723599 | 0.72 | AR (0.56) | ALDH1A1IMPDH2KDM4EUSP2TUBB4A | |
| SCHEMBL16122424 | 0.72 | ALDH1A1 (0.50) | ALDH1A1IMPDH2IMPDH1KDM4EUSP2 |
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 |