Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 8/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | BAX | Q07812 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL11480234 | 0.91 | LTA4H (0.49) | LTA4HHDAC3PPARANPC1RAB9A | |
| SCHEMBL11492433 | 0.88 | LTA4H (0.44) | LTA4HHDAC3PPARANPC1RAB9A | |
| SCHEMBL11487500 | 0.87 | MAPT (0.36) | LTA4HNPC1RAB9APOLBMAPT | |
| SCHEMBL11480169 | 0.87 | LTA4H (0.35) | LTA4HPPARANPC1RAB9AMAPT | |
| SCHEMBL11480164 | 0.87 | MEN1 (0.37) | LTA4HPPARAPOLBTSHRALDH1A1 | |
| SCHEMBL11085392 | 0.85 | HTR2A (0.38) | RAB9ACYP2C9ALOX12TSHRALDH1A1 | |
| SCHEMBL11491253 | 0.85 | XIAP (0.41) | MAPTLMNAL3MBTL1 | |
| SCHEMBL11487583 | 0.84 | PARP10 (0.42) | — | |
| SCHEMBL11480389 | 0.83 | CYP2C9 (0.41) | HDAC3NPC1RAB9APOLBCYP2C9 | |
| SCHEMBL11479694 | 0.78 | MMP13 (0.38) | LTA4HHDAC3PPARANPC1RAB9A |
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 |