Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 3/20 | 0.39 |
| ▸ | BCR | P11274 | 3/20 | 0.39 |
| ▸ | WNK1 | Q9H4A3 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 3/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.38 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL5538116 | 0.82 | SMN1; SMN2 (0.41) | ALDH1A1GRM5TSHRMCHR1 | |
| SCHEMBL5546584 | 0.76 | MAPK1 (0.46) | ALDH1A1HPGDTSHR | |
| SCHEMBL5540358 | 0.75 | KCNQ3 (0.42) | ALDH1A1HPGDABL1BCRWNK1 | |
| SCHEMBL5540977 | 0.75 | DRD4 (0.46) | MGLLMCHR1 | |
| SCHEMBL5545011 | 0.69 | NPC1 (0.41) | ALDH1A1HPGD | |
| SCHEMBL3528320 | 0.66 | KDR (0.63) | ALDH1A1HPGDGRM5KCNQ3KCNQ2 | |
| SCHEMBL5544889 | 0.65 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1 | |
| SCHEMBL16461033 | 0.61 | RAB9A (0.70) | ALDH1A1HPGDTSHR | |
| SCHEMBL2468483 | 0.60 | NPC1 (0.71) | ALDH1A1HPGDGRM5TSHRMCHR1 | |
| SCHEMBL10339477 | 0.60 | TAS1R3 (0.51) | ALDH1A1KCNQ3KCNQ2TAS1R3TAS1R1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2007534719-A | — | — | 2007-11-29 | — | — | JP | claimed |
| EP-1742925-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2007-01-17 | — | — | EP | claimed |
| WO-2005105759-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2005-11-10 | — | — | WO | claimed |