Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1780239 | 0.82 | DDB1 (0.43) | GRM5DDB1CRBNRAB9ANPC1 | |
| SCHEMBL21670888 | 0.77 | NPC1 (0.57) | RAB9ANPC1ALDH1A1HPGDKMT2A | |
| SCHEMBL16386822 | 0.74 | DDB1 (0.42) | GRM5DDB1CRBNRAB9ANPC1 | |
| SCHEMBL680089 | 0.73 | NPC1 (0.61) | GRM5DDB1CRBNRAB9ANPC1 | |
| SCHEMBL822565 | 0.73 | ALDH1A1 (0.53) | DDB1CRBNALDH1A1KMT2AMAPT | |
| SCHEMBL7371813 | 0.72 | CYP1A2 (0.47) | GRM5DDB1CRBNRAB9ANPC1 | |
| SCHEMBL20532607 | 0.72 | KMT2A (0.44) | GRM5DDB1CRBNRAB9ANPC1 | |
| SCHEMBL8525179 | 0.72 | GRM5 (0.43) | GRM5DDB1CRBNRAB9ANPC1 | |
| SCHEMBL3757964 | 0.72 | DDB1 (0.43) | GRM5DDB1CRBNRAB9ANPC1 | |
| SCHEMBL21670879 | 0.71 | GRM5 (0.34) | GRM5DDB1CRBNRAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008019690-A1 | SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES | LEO PHARMA A/S (DK) | 2008-02-21 | — | — | WO | disclosed |