Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2197482 | 0.92 | PDE5A (0.49) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL2198240 | 0.83 | ALDH1A1 (0.54) | KDM4EALDH1A1HPGDMAPTLMNA | |
| SCHEMBL2196718 | 0.82 | TSHR (0.44) | KDM4EALDH1A1HPGDMAPTNPC1 | |
| SCHEMBL13146633 | 0.81 | LMNA (0.47) | KDM4EALDH1A1HPGDMAPTNPC1 | |
| SCHEMBL2198322 | 0.80 | EPHX2 (0.48) | ALDH1A1HPGDMAPTLMNAHDAC4 | |
| SCHEMBL2198508 | 0.79 | BRD4 (0.46) | ALDH1A1HPGDMAPK1LMNAABL1 | |
| SCHEMBL2198146 | 0.78 | CLK4 (0.50) | KDM4EALDH1A1HPGDMAPTMAPK1 | |
| SCHEMBL2199265 | 0.76 | CLK4 (0.51) | KDM4EALDH1A1HPGDMAPTMAPK1 | |
| SCHEMBL2198386 | 0.75 | PDE5A (0.53) | ALDH1A1HPGDMAPTLMNAKMT2A | |
| SCHEMBL2197333 | 0.74 | PDE5A (0.48) | ALDH1A1HPGDMAPTKMT2ANPSR1 |
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-7977360-B2 | Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands | GRUENENTHAL GMBH (DE) | 2011-07-12 | — | — | US | claimed |
| US-7977360-B2 | Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands | GRUENENTHAL GMBH (DE) | 2011-07-12 | — | — | US | disclosed |