Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31692769 | 0.84 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2KMT2AKDM4E | |
| SCHEMBL27768543 | 0.77 | — | — | |
| SCHEMBL6591819 | 0.72 | LSS (0.46) | NPC1RAB9ASMN1; SMN2CASP3SENP7 | |
| SCHEMBL28294378 | 0.69 | — | — | |
| SCHEMBL13210699 | 0.68 | KMT2A (0.73) | NPC1RAB9ASMN1; SMN2CASP3SENP7 | |
| Sulfuric Acid SCHEMBL11149992 | 0.66 | ADRA2A (0.35) | MAPTTSHRKDM4ECYP2C9POLB | |
| SCHEMBL28872262 | 0.65 | CYP3A4 (0.42) | MAPTTSHRKDM4ECYP2C9POLB | |
| SCHEMBL1664024 | 0.65 | MEN1 (0.59) | NPC1RAB9AKMT2AMAPTTSHR | |
| SCHEMBL28829404 | 0.65 | KDM4E (0.81) | NPC1RAB9ASMN1; SMN2KMT2AMAPT | |
| Terephthalamide SCHEMBL23774 | 0.64 | PARP1 (0.71) | SMN1; SMN2KMT2AMAPTTSHRPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2271642-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | Genentech, Inc. (US) | 2011-01-12 | — | — | EP | disclosed |