Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 2/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PREP | P48147 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL757756 | 0.84 | HTR2C (0.53) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL8658861 | 0.84 | HTR2C (0.53) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL21326091 | 0.81 | PSEN1 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL3076603 | 0.81 | PSEN1 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL3950322 | 0.80 | PSEN1 (0.53) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL3159251 | 0.80 | P2RX7 (0.49) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL20449200 | 0.80 | P2RX7 (0.49) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL25205078 | 0.80 | PSEN1 (0.41) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL9734306 | 0.80 | HTT (0.56) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL4152795 | 0.78 | ELANE (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A |
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-7622489-B2 | Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-dihydro-1N-pyrrol-1-carboxamide | MERCK & CO., INC. (US) | 2009-11-24 | — | — | US | disclosed |