Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 1/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | BCR | P11274 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | QSOX1 | O00391 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL5541258 | 0.82 | MAPT (0.50) | ALDH1A1HPGDNPC1RAB9ACYP1A2 | |
| SCHEMBL5538119 | 0.81 | RAB9A (0.46) | ALDH1A1HPGDNPC1RAB9ACYP1A2 | |
| SCHEMBL5547995 | 0.80 | KMT2A (0.41) | ALDH1A1HPGDRAB9ATP53KMT2A | |
| SCHEMBL5546587 | 0.76 | ALDH1A1 (0.45) | ALDH1A1HPGDNPC1RAB9ACYP1A2 | |
| SCHEMBL5540348 | 0.75 | ALDH1A1 (0.40) | KCNQ3KCNQ2ALDH1A1HPGDABL1 | |
| SCHEMBL5545053 | 0.75 | GRM5 (0.39) | ALDH1A1HPGDNPC1RAB9ATP53 | |
| SCHEMBL5544949 | 0.72 | ALDH1A1 (0.36) | KCNQ3KCNQ2ALDH1A1ABL1NPC1 | |
| SCHEMBL5548741 | 0.70 | SMN1; SMN2 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL3528320 | 0.69 | KDR (0.63) | KCNQ3KCNQ2ALDH1A1HPGDNPC1 | |
| SCHEMBL5545017 | 0.69 | ALDH1A1 (0.41) | ALDH1A1HPGDNPC1RAB9ASMN1; SMN2 |
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 |