Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL11540801 | 0.86 | MAOB (0.48) | MAOBMAOAP2RX3CYP11B1CYP11B2 | |
| SCHEMBL11544488 | 0.83 | MAOB (0.50) | MAOBMAOAP2RX3CYP11B1CYP11B2 | |
| SCHEMBL31294436 | 0.80 | CES2 (0.46) | MAOBCYP11B1CYP11B2CYP1A2TSHR | |
| SCHEMBL22407068 | 0.79 | MAOB (0.68) | MAOBMAOAP2RX3CYP11B1CYP11B2 | |
| SCHEMBL11540804 | 0.78 | MAOB (0.47) | MAOBMAOAP2RX3CYP11B1CYP11B2 | |
| SCHEMBL11545459 | 0.78 | F2 (0.43) | F2PLGPRSS1LMNAALDH1A1 | |
| SCHEMBL5255602 | 0.78 | MAOB (0.52) | MAOBMAOAP2RX3CYP11B1CYP11B2 | |
| SCHEMBL2999106 | 0.76 | ALDH1A1 (0.50) | CYP3A4TSHRALDH1A1MAPTTHRB | |
| SCHEMBL2999108 | 0.76 | ALDH1A1 (0.50) | CYP3A4TSHRALDH1A1MAPTTHRB | |
| SCHEMBL17169101 | 0.74 | KDM4E (0.49) | CYP1A2CYP3A4TSHRLMNAALDH1A1 |
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-4151302-A | Araliphatic dihalogen compounds composition and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-04-24 | — | — | US | disclosed |
| US-4057647-A | Araliphatic dihalogen compounds and process for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-11-08 | — | — | US | disclosed |