Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 8/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL6581799 | 0.90 | NPC1 (0.45) | ALDH1A1NPSR1LMNAPKMPOLB | |
| SCHEMBL6584543 | 0.88 | PDE5A (0.52) | MEN1MAPK1KMT2A | |
| SCHEMBL3921987 | 0.88 | ALDH1A1 (0.52) | ALDH1A1NPSR1LMNAPKMPOLB | |
| SCHEMBL6583317 | 0.88 | PGR (0.49) | ALDH1A1LMNAPGRNPC1RAB9A | |
| SCHEMBL5206295 | 0.87 | ALDH1A1 (0.49) | ALDH1A1NPSR1LMNAPKMPOLB | |
| SCHEMBL6602100 | 0.85 | MAOB (0.48) | ALDH1A1NPSR1LMNAPKMPOLB | |
| Hydrochloric Acid SCHEMBL7646213 | 0.84 | MAOB (0.47) | ALDH1A1NPSR1LMNAPKMPOLB | |
| SCHEMBL6583658 | 0.83 | NPC1 (0.45) | ALDH1A1NPSR1LMNAPKMPOLB | |
| SCHEMBL6581923 | 0.82 | NPC1 (0.48) | ALDH1A1NPSR1LMNAPKMPOLB | |
| SCHEMBL6582371 | 0.82 | NPC1 (0.49) | ALDH1A1NPSR1LMNAPKMPOLB |
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-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 |