Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MITF | O75030 | 1/20 | 0.53 |
| ▸ | XBP1 | P17861 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11715456 | 1.00 | ALDH1A1 (0.53) | ALDH1A1LMNANPC1MITFXBP1 | |
| SCHEMBL11719061 | 0.97 | ALDH1A1 (0.47) | ALDH1A1LMNANPC1MITFXBP1 | |
| SCHEMBL11718145 | 0.94 | ALDH1A1 (0.59) | ALDH1A1LMNANPC1MITFXBP1 | |
| SCHEMBL11714359 | 0.88 | ALDH1A1 (0.54) | ALDH1A1LMNANPC1MITFXBP1 | |
| SCHEMBL11717050 | 0.86 | MEN1 (0.52) | ALDH1A1LMNANPC1MITFXBP1 | |
| SCHEMBL11716164 | 0.86 | GHSR (0.57) | ALDH1A1LMNANPC1MITFXBP1 | |
| SCHEMBL11716476 | 0.86 | GHSR (0.57) | ALDH1A1LMNANPC1MITFXBP1 | |
| SCHEMBL11711138 | 0.86 | TRPV1 (0.60) | ALDH1A1LMNANPC1MITFXBP1 | |
| SCHEMBL11718211 | 0.86 | TRPV1 (0.60) | ALDH1A1LMNANPC1MITFXBP1 | |
| SCHEMBL11714309 | 0.86 | MEN1 (0.55) | ALDH1A1LMNANPC1MITFXBP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4001244-A | 1-ARYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINE CARBONYL CHLORIDES | G. D. SEARLE & CO. (US) | 1977-01-04 | — | — | US | disclosed |