Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6196824 | 0.80 | NQO1 (0.48) | ALDH1A1HSD17B10KDM4EMEN1KMT2A | |
| SCHEMBL6194918 | 0.79 | MAPT (0.52) | ALDH1A1HSD17B10KDM4EMEN1KMT2A | |
| SCHEMBL5599370 | 0.74 | NQO1 (0.54) | MEN1KMT2ATSHRHTTAPOBEC3A | |
| SCHEMBL6195538 | 0.73 | KMT2A (0.48) | ALDH1A1HSD17B10KDM4EMEN1KMT2A | |
| SCHEMBL20392906 | 0.72 | NQO1 (0.42) | ALDH1A1HSD17B10KDM4EMEN1KMT2A | |
| SCHEMBL25291244 | 0.71 | CNR1 (0.47) | ALDH1A1HSD17B10KDM4EMEN1KMT2A | |
| SCHEMBL143430 | 0.70 | NQO1 (0.59) | ALDH1A1HSD17B10KDM4EMEN1KMT2A | |
| SCHEMBL15698746 | 0.69 | NQO1 (0.38) | ALDH1A1HSD17B10KDM4EMEN1KMT2A | |
| SCHEMBL8292832 | 0.68 | AXL (0.66) | ALDH1A1HSD17B10KDM4EMEN1KMT2A | |
| SCHEMBL3750003 | 0.68 | RXRA (0.61) | MAPTL3MBTL1 |
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 |