Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13306004 | 0.86 | POLB (0.36) | L3MBTL1NPC1RAB9AMMP2MMP9 | |
| SCHEMBL10044311 | 0.81 | TDP1 (0.44) | ALDH1A1CYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10044347 | 0.79 | NPC1 (0.35) | KDM4ENPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL13310715 | 0.74 | TDP1 (0.34) | NPC1RAB9ATP53 | |
| SCHEMBL12313464 | 0.73 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP2C19SMN1; SMN2TP53 | |
| SCHEMBL12337516 | 0.72 | MEN1 (0.36) | KDM4EALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL23637445 | 0.70 | SIGMAR1 (0.42) | — | |
| SCHEMBL12434580 | 0.70 | EPHX2 (0.40) | HPGDNPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL3457915 | 0.69 | LMNA (0.54) | KDM4EALDH1A1HPGDL3MBTL1GAA | |
| SCHEMBL12313424 | 0.68 | L3MBTL1 (0.35) | ALDH1A1HPGDL3MBTL1NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100159455-A1 | RECEPTOR FAMILY PROFILING | ENSEMBLE DISCOVERY | 2010-06-24 | — | — | US | disclosed |