Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 7/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | BAX | Q07812 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11485797 | 0.88 | LTA4H (0.44) | LTA4HNPC1RAB9APOLBCYP2C9 | |
| SCHEMBL11480174 | 0.86 | MAPT (0.38) | LTA4HNPC1RAB9APOLBCYP2C9 | |
| SCHEMBL11480978 | 0.86 | MEN1 (0.39) | NPC1RAB9APOLBMAPTTSHR | |
| SCHEMBL11483248 | 0.86 | NPC1 (0.38) | LTA4HNPC1RAB9APOLBCYP2C9 | |
| SCHEMBL11480234 | 0.85 | LTA4H (0.49) | LTA4HNPC1RAB9APOLBCYP2C9 | |
| SCHEMBL1456006 | 0.84 | ALDH1A1 (0.38) | CYP2C9TSHRSMN1; SMN2 | |
| SCHEMBL11486116 | 0.84 | LPAR1 (0.41) | PPARA | |
| SCHEMBL11487885 | 0.83 | PARP10 (0.43) | — | |
| SCHEMBL11480902 | 0.81 | CYP2C9 (0.43) | CYP2C9MAPTHPGDSMN1; SMN2 | |
| SCHEMBL11486699 | 0.78 | LTA4H (0.44) | LTA4HNPC1RAB9APOLBCYP2C9 |
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 |