Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | RORB | Q92753 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | USP7 | Q93009 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11487804 | 0.87 | DHODH (0.40) | NPC1PKMRAB9ADHODHRORB | |
| SCHEMBL11485736 | 0.83 | SRD5A2 (0.43) | DHODHCNR1CNR2HSD11B1KMT2A | |
| SCHEMBL11485961 | 0.83 | MEN1 (0.38) | CNR1CNR2HSD11B1KMT2A | |
| SCHEMBL10802061 | 0.82 | CYP2A6 (0.54) | CYP2A6MAOBDHODHRORBCNR1 | |
| SCHEMBL11489498 | 0.82 | MAPK1 (0.46) | NPC1PKMRAB9AHSD11B1 | |
| SCHEMBL11480298 | 0.82 | NPC1 (0.58) | NPC1PKMRAB9ADHODHPDK2 | |
| SCHEMBL11491379 | 0.81 | TNKS (0.35) | NPC1RAB9ADHODHRORBAR | |
| SCHEMBL11482162 | 0.80 | CYP2C9 (0.47) | — | |
| SCHEMBL11481112 | 0.80 | CYP2A6 (0.52) | CYP2A6MAOBNPC1PKMRAB9A | |
| SCHEMBL11480537 | 0.80 | CYP2A6 (0.43) | CYP2A6MAOBNPC1PKMRAB9A |
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 |