Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4612505 | 0.90 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL4613286 | 0.73 | ALDH1A1 (0.33) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL10268749 | 0.73 | — | — | |
| SCHEMBL28292758 | 0.67 | CA12 (0.35) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL27537756 | 0.67 | — | — | |
| SCHEMBL7254407 | 0.65 | NPC1 (0.37) | ALDH1A1LMNAMAPTTDP1KDM4E | |
| SCHEMBL17918919 | 0.62 | LTA4H (0.41) | ALDH1A1CACNA2D1CA12CA1CA2 | |
| SCHEMBL13361150 | 0.61 | KCNH2 (0.38) | ALDH1A1CYP3A4LMNAMAPTKDM4E | |
| SCHEMBL22800515 | 0.61 | MAPT (0.36) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL428605 | 0.61 | — | — |
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-3218372-B1 | MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2020-05-20 | — | — | EP | disclosed |
| EP-1281703-B1 | Process for the preparation of 5-alkoxy-oxazoles as well as of pyridoxines | BASF AG (DE) | 2005-01-26 | — | — | EP | disclosed |