Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2105354 | 0.88 | CYP2C19 (0.43) | L3MBTL1MEN1KMT2AALDH1A1HPGD | |
| SCHEMBL11479629 | 0.87 | MMP1 (0.41) | NPC1RAB9AMEN1KMT2ALMNA | |
| SCHEMBL11480219 | 0.87 | TSHR (0.41) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL11478619 | 0.87 | ELANE (0.46) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL11483304 | 0.87 | PPARA (0.40) | RAB9AL3MBTL1MEN1KMT2AALDH1A1 | |
| SCHEMBL11480391 | 0.86 | KCNH2 (0.41) | NPC1RAB9AKMT2APOLBCYP2C9 | |
| SCHEMBL11494825 | 0.85 | CYP2C9 (0.42) | NPC1RAB9AMEN1KMT2ALMNA | |
| SCHEMBL11493701 | 0.84 | PARP10 (0.47) | RAB9AKMT2APARP10MMP1MMP13 | |
| SCHEMBL11479674 | 0.82 | PARP10 (0.39) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL11476997 | 0.80 | NPC1 (0.44) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4196215-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1980-04-01 | — | — | US | disclosed |
| US-4115456-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1978-09-19 | — | — | US | disclosed |