Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 1/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | PNLIP | P16233 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5878145 | 0.84 | ABCC1 (0.51) | RAB9AALDH1A1ABCC1KMT2ANPSR1 | |
| SCHEMBL5877140 | 0.80 | ALDH1A1 (0.46) | PDE1APDE1BPDE1CNPC1RAB9A | |
| SCHEMBL5878393 | 0.78 | ALDH1A1 (0.44) | PDE1APDE1BPDE1CNPC1RAB9A | |
| SCHEMBL5877050 | 0.75 | ABCC1 (0.62) | RAB9AALDH1A1ABCC1KMT2ANPSR1 | |
| SCHEMBL7492606 | 0.74 | ABCC1 (0.41) | ABCC1 | |
| SCHEMBL5878320 | 0.73 | ABCC1 (0.62) | RAB9AALDH1A1ABCC1KMT2ANPSR1 | |
| SCHEMBL5878138 | 0.73 | CYP2D6 (0.42) | ABCC1 | |
| SCHEMBL5878178 | 0.73 | EGFR (0.46) | ALDH1A1ABCC1KMT2AHTTCTSD | |
| SCHEMBL5878284 | 0.73 | EGFR (0.45) | PDE1APDE1BPDE1CKMT2ACTSD | |
| SCHEMBL5877634 | 0.72 | CASR (0.45) | PDE1APDE1BPDE1CKMT2A |
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-7060706-B1 | Quinazolinones | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2006-06-13 | — | — | US | disclosed |