Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | MLYCD | O95822 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL18880072 | 0.85 | ALDH1A1 (0.73) | ALDH1A1NPSR1RAB9AHPGDHTT | |
| SCHEMBL22199591 | 0.82 | ALDH1A1 (0.66) | ALDH1A1NPSR1RAB9AHPGDHTT | |
| SCHEMBL14254805 | 0.82 | ALDH1A1 (0.66) | ALDH1A1NPSR1RAB9AHPGDHTT | |
| SCHEMBL18896262 | 0.82 | ALDH1A1 (0.66) | ALDH1A1NPSR1RAB9AHPGDHTT | |
| SCHEMBL7278525 | 0.82 | ALDH1A1 (0.71) | ALDH1A1NPSR1RAB9AHPGDHTT | |
| SCHEMBL3093916 | 0.81 | HSD17B10 (0.66) | ALDH1A1NPSR1RAB9AHPGDHTT | |
| SCHEMBL5227347 | 0.80 | ALDH1A1 (0.61) | ALDH1A1NPSR1RAB9AHPGDHTT | |
| SCHEMBL13391037 | 0.79 | MEN1 (0.62) | ALDH1A1NPSR1RAB9AHPGDHTT | |
| SCHEMBL25543872 | 0.79 | ALDH1A1 (0.67) | ALDH1A1NPSR1RAB9AHPGDHTT | |
| SCHEMBL24003138 | 0.78 | ALDH1A1 (0.60) | ALDH1A1NPSR1RAB9AHPGDHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1087946-B1 | ARYL ALKANOYLPYRIDAZINES | MERCK PATENT GMBH (DE) | 2007-01-10 | — | — | EP | disclosed |
| CN-1168720-C | Aryl alkanoylpyridazines | Ĭ��ר���ɷ�����˾ | 2004-09-29 | — | — | CN | disclosed |
| US-6417188-B1 | ENZYME INHIBITORS OF PHOSPHODIESTERASE | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2002-07-09 | — | — | US | disclosed |
| CN-1305465-A | Aryl alkanoylpyridazines | MERCK PATENT GMBH (DE) | 2001-07-25 | — | — | CN | disclosed |