Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.54 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 7/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.44 |
| ▸ | WNK1 | Q9H4A3 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8809493 | 0.81 | S1PR1 (0.56) | HIF1ANOTUMS1PR1RAB9ANPC1 | |
| SCHEMBL17933815 | 0.74 | HIF1A (0.90) | HIF1AS1PR1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL4902504 | 0.73 | RAB9A (0.65) | HIF1ANOTUMRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL14606631 | 0.72 | ALKBH5 (0.49) | RAB9ANPC1IDO1WNK1HDAC3 | |
| SCHEMBL21696743 | 0.72 | S1PR1 (0.50) | HIF1ANOTUMS1PR1RAB9ANPC1 | |
| SCHEMBL31686265 | 0.71 | NOTUM (0.59) | HIF1ANOTUMRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7603669 | 0.71 | CXCR4 (0.63) | RAB9ANPC1HPGDHDAC3HDAC1 | |
| SCHEMBL10764797 | 0.71 | CXCR4 (0.63) | RAB9ANPC1HPGDHDAC3HDAC1 | |
| SCHEMBL1544128 | 0.71 | NOTUM (1.00) | HIF1ANOTUMRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL3122505 | 0.71 | HPGD (0.68) | RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009071706-A1 | PYRAZOLEPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS NV (BE) | 2009-06-11 | — | — | WO | disclosed |