Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 6/20 | 0.49 |
| ▸ | MAOA | P21397 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.39 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.39 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.39 |
| ▸ | TUBA1C | Q9BQE3 | 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 | |
|---|---|---|---|---|
| SCHEMBL10551299 | 0.88 | KDM1A (0.46) | KDM1AMAOAMAOBHTR2CRAB9A | |
| SCHEMBL10554456 | 0.86 | NQO1 (0.42) | MAOAMAOBRAB9ANPC1MAPT | |
| SCHEMBL10552762 | 0.85 | KDM1A (0.44) | KDM1AMAOAMAOBHTR2CRAB9A | |
| SCHEMBL10552983 | 0.84 | KDM1A (0.43) | KDM1AMAOAMAOBHTR2CRAB9A | |
| SCHEMBL10554147 | 0.84 | RAB9A (0.49) | MAOAMAOBRAB9ANPC1MAPT | |
| SCHEMBL10552421 | 0.84 | RAB9A (0.43) | MAOAMAOBRAB9ANPC1MAPT | |
| SCHEMBL10550672 | 0.80 | KDM1A (0.42) | KDM1AMAOAMAOBHTR2CRAB9A | |
| SCHEMBL10550692 | 0.80 | KDM1A (0.42) | KDM1AMAOAMAOBHTR2CRAB9A | |
| SCHEMBL10550684 | 0.80 | KDM1A (0.42) | KDM1AMAOAMAOBHTR2CRAB9A | |
| SCHEMBL18779738 | 0.80 | KDM1A (0.44) | KDM1AMAOAMAOBHTR2CRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0215120-B1 | CYCLOHEXANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1989-08-23 | — | — | EP | disclosed |
| US-4846998-A | LIQUID CRYSTALS, ESTERS, NITRILES; ETHERS, HYDROCARBONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-07-11 | — | — | US | disclosed |