Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | PGR | P06401 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL6584065 | 0.98 | ALDH1A1 (0.51) | ALDH1A1LMNAPKMNPSR1PGR | |
| SCHEMBL6585171 | 0.97 | ALDH1A1 (0.55) | ALDH1A1LMNAPKMNPSR1PGR | |
| SCHEMBL6581583 | 0.96 | ALDH1A1 (0.52) | ALDH1A1LMNAPKMNPSR1PGR | |
| SCHEMBL6583492 | 0.95 | ALDH1A1 (0.51) | ALDH1A1LMNAPKMNPSR1PGR | |
| SCHEMBL6581858 | 0.95 | SMN1; SMN2 (0.49) | ALDH1A1LMNAPKMNPSR1PGR | |
| SCHEMBL6583372 | 0.95 | ALDH1A1 (0.52) | ALDH1A1LMNAPKMNPSR1PGR | |
| SCHEMBL6583333 | 0.94 | KMT2A (0.49) | ALDH1A1NPC1SMN1; SMN2NFKB1RAB9A | |
| SCHEMBL6585085 | 0.93 | PGR (0.53) | ALDH1A1LMNAPKMNPSR1PGR | |
| SCHEMBL6581923 | 0.93 | NPC1 (0.48) | ALDH1A1LMNAPKMNPSR1PGR | |
| SCHEMBL6581435 | 0.93 | KMT2A (0.49) | ALDH1A1LMNAPGRNPC1SMN1; SMN2 |
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-1194411-B1 | BENZOYLPYRIDAZINES | MERCK PATENT GMBH (DE) | 2004-06-16 | — | — | EP | disclosed |
| US-6696446-B1 | HETEROCYLCIC AMIDES SUCH AS N-(4-(3-(3-(3-ETHOXY-4-METHOXY PHENYL)-1,4,5,6-TETRAHYDRO-1-PYRIDAZINYLCARBONYL)PHENYLAMINO -CARBONYL)PHENYL)-4-NITROBENZAMIDE, SUED AS PHOSPHODIESTERASE INHIBITORSFOR PROPHYLAXIS OF ALLERGIES OR ASTHMA | MERCK PATENT GMBH (DE) | 2004-02-24 | — | — | US | disclosed |
| EP-1194411-A1 | BENZOYLPYRIDAZINES | MERCK PATENT GmbH (DE) | 2002-04-10 | — | — | EP | disclosed |
| WO-2001004099-A1 | BENZOYLPYRIDAZINES | MERCK PATENT GMBH (DE) | 2001-01-18 | — | — | WO | disclosed |