Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.42 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5540358 | 0.85 | KCNQ3 (0.42) | NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL5538119 | 0.84 | RAB9A (0.46) | NPC1RAB9ASMN1; SMN2POLBHTT | |
| SCHEMBL5537979 | 0.74 | TAS1R3 (0.43) | NPC1RAB9AALDH1A1GAACYP1A2 | |
| SCHEMBL5545053 | 0.72 | GRM5 (0.39) | NPC1RAB9AALDH1A1HPGDLMNA | |
| SCHEMBL5548741 | 0.72 | SMN1; SMN2 (0.41) | NPC1RAB9ASMN1; SMN2POLBHTT | |
| SCHEMBL5544949 | 0.71 | ALDH1A1 (0.36) | NPC1RAB9ASMN1; SMN2ALDH1A1GAA | |
| SCHEMBL5546603 | 0.69 | HPGDS (0.39) | NPC1RAB9ASMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL5546201 | 0.69 | ABL1 (0.40) | SMN1; SMN2HTTLMNAMEN1KMT2A | |
| SCHEMBL5548146 | 0.67 | MAPT (0.48) | RAB9ASMN1; SMN2POLBHTTALDH1A1 | |
| SCHEMBL3532082 | 0.67 | KDR (0.61) | NPC1RAB9ASMN1; SMN2ALDH1A1GAA |
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 |