Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6194518 | 0.83 | LMNA (0.51) | RAB9ANPC1ALDH1A1GAAAR | |
| SCHEMBL6195538 | 0.81 | KMT2A (0.48) | RAB9ANPC1ALDH1A1GAAKMT2A | |
| SCHEMBL10927299 | 0.79 | KMT2A (0.68) | RAB9ANPC1ALDH1A1GAAAR | |
| SCHEMBL6198040 | 0.79 | ERN1 (0.47) | RAB9ANPC1ALDH1A1GAAAR | |
| SCHEMBL30532593 | 0.74 | SMN1; SMN2 (0.58) | RAB9ANPC1ALDH1A1GAAKMT2A | |
| SCHEMBL2022798 | 0.71 | ALDH1A1 (0.56) | ALDH1A1GAAARKMT2APOLB | |
| SCHEMBL9149730 | 0.71 | L3MBTL1 (0.63) | RAB9ANPC1ALDH1A1GAAKMT2A | |
| SCHEMBL31567897 | 0.71 | AR (0.67) | RAB9ANPC1ALDH1A1GAAAR | |
| SCHEMBL6464508 | 0.71 | AR (0.67) | RAB9ANPC1ALDH1A1GAAAR | |
| SCHEMBL31567903 | 0.70 | LMNA (0.72) | RAB9ANPC1ALDH1A1GAAAR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1539168-A2 | TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO(3,4-D)PYRIDAZINE COMPOUNDS | Merck & Co., Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004006836-A2 | TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS | MERCK & CO., INC. (US) | 2004-01-22 | — | — | WO | disclosed |