Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | DPP4 | P27487 | 4/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.34 |
| ▸ | F10 | P00742 | 2/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL3532383 | 0.75 | PKM (0.42) | PKMESR1ESR2HDAC8TYRO3 | |
| SCHEMBL3532386 | 0.73 | PKM (0.43) | PKMESR1ESR2HDAC8TYRO3 | |
| SCHEMBL10154278 | 0.70 | ESR1 (0.61) | PKMESR1ESR2HDAC8PNMT | |
| SCHEMBL8277232 | 0.68 | ESR1 (0.65) | PKMESR1ESR2PNMT | |
| SCHEMBL20681402 | 0.68 | ESR1 (0.65) | PKMESR1ESR2PNMT | |
| SCHEMBL30770403 | 0.68 | ESR1 (0.65) | PKMESR1ESR2PNMT | |
| SCHEMBL2993408 | 0.68 | ESR1 (0.68) | PKMESR1ESR2HDAC8MEN1 | |
| SCHEMBL1487369 | 0.68 | ESR1 (0.58) | PKMESR1ESR2HDAC8HDAC6 | |
| SCHEMBL11477876 | 0.67 | ESR1 (0.67) | PKMESR1ESR2TYRO3MERTK | |
| SCHEMBL6861722 | 0.67 | CYP2D6 (0.45) | PKMESR1ESR2HDAC8TYRO3 |
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 |