Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | MOGAT2 | Q3SYC2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.34 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5538108 | 0.79 | PKM (0.42) | PKMMAPTESR1ESR2OPRK1 | |
| SCHEMBL5545059 | 0.79 | ALDH1A1 (0.46) | NPC1RAB9AHTT | |
| SCHEMBL3530530 | 0.73 | PKM (0.46) | PKMMAPTESR1ESR2OPRK1 | |
| SCHEMBL5546201 | 0.72 | ABL1 (0.40) | HDAC6HTT | |
| SCHEMBL5546901 | 0.72 | ALDH1A1 (0.51) | PKMMAPT | |
| SCHEMBL5548489 | 0.71 | TUBB4A (0.50) | MAPTNPC1RAB9A | |
| SCHEMBL5540390 | 0.68 | RAB9A (0.35) | PKMMAPTOPRK1NPC1RAB9A | |
| SCHEMBL11477876 | 0.67 | ESR1 (0.67) | PKMESR1ESR2 | |
| Dimethylamine SCHEMBL6529354 | 0.67 | ESR1 (0.62) | PKMESR1ESR2HDAC6 | |
| SCHEMBL8277232 | 0.66 | ESR1 (0.65) | PKMESR1ESR2 |
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 |