Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4014901 | 0.83 | HSP90AA1 (0.45) | KDM4EDCUN1D1NPSR1PPARGMETAP2 | |
| SCHEMBL5787312 | 0.82 | HPGD (0.41) | KDM4ENPSR1NTRK1NPC1RAB9A | |
| SCHEMBL14019132 | 0.81 | SMN1; SMN2 (0.48) | KDM4EDCUN1D1NPSR1NTRK1METAP2 | |
| SCHEMBL5786736 | 0.80 | ALDH1A1 (0.46) | KDM4ENPSR1NPC1RAB9AKMT2A | |
| SCHEMBL3393329 | 0.78 | HPGD (0.44) | KDM4ENPSR1NPC1HTTRAB9A | |
| SCHEMBL2599336 | 0.74 | NTRK1 (0.51) | KDM4EDCUN1D1NPSR1NTRK1METAP2 | |
| SCHEMBL1950195 | 0.73 | PPARG (0.32) | PPARGRAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14441710 | 0.72 | IDO1 (0.42) | NPSR1HPGDIDO1 | |
| SCHEMBL31714660 | 0.72 | PPARG (0.32) | PPARGCYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL4844072 | 0.71 | KDM4E (0.49) | KDM4EDCUN1D1NPSR1PPARGNPC1 |
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-7435731-B2 | Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same | ROCHE PALO ALTO LLC (US) | 2008-10-14 | — | — | US | disclosed |