Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.40 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | BAD | Q92934 | 1/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | LPL | P06858 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11489323 | 0.87 | PYCR1 (0.36) | CYP17A1PYCR1CYP3A4USP2RAB9A | |
| SCHEMBL11483248 | 0.85 | NPC1 (0.38) | CYP3A4RAB9ACYP2C9BCL2L1CACNA1G | |
| SCHEMBL11480902 | 0.84 | CYP2C9 (0.43) | CYP17A1PYCR1CYP3A4CYP2C9BCL2L1 | |
| SCHEMBL11479344 | 0.84 | ESR1 (0.37) | CYP17A1PYCR1CYP3A4GCGR | |
| SCHEMBL11487425 | 0.84 | APP (0.38) | USP2RAB9ALMNAKMT2AGCGR | |
| SCHEMBL11478446 | 0.83 | MEN1 (0.42) | CYP17A1CYP3A4LMNAHTTKMT2A | |
| SCHEMBL11486850 | 0.83 | ALDH1A1 (0.33) | PYCR1 | |
| SCHEMBL11486048 | 0.80 | NPC1 (0.51) | RAB9A | |
| SCHEMBL11481152 | 0.77 | CYP17A1 (0.39) | CYP17A1PYCR1CYP3A4USP2RAB9A | |
| SCHEMBL1456006 | 0.76 | ALDH1A1 (0.38) | CYP2D6CYP2C9CYP2C19LMNAHTT |
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-4115456-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1978-09-19 | — | — | US | claimed |