Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9276609 | 0.78 | TSHR (0.54) | NR1H4HDAC1AKR1C2AKR1C3POLB | |
| SCHEMBL12267916 | 0.78 | NR1H4 (0.57) | NR1H4HDAC1AKR1C2AKR1C3TSHR | |
| SCHEMBL3993198 | 0.77 | SMN1; SMN2 (0.42) | ALDH1A1LMNASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2551253 | 0.77 | ESR1 (0.50) | NR1H4TSHRALDH1A1LMNACYP1A2 | |
| SCHEMBL3993817 | 0.77 | BRD4 (0.61) | TSHRLMNACYP1A2MEN1KMT2A | |
| SCHEMBL6258304 | 0.76 | FFAR1 (0.43) | NR1H4HDAC1POLBTSHRALDH1A1 | |
| SCHEMBL4052998 | 0.75 | ACACB (0.40) | ALDH1A1LMNAMAPT | |
| SCHEMBL3993015 | 0.75 | CYP1A2 (0.53) | POLBCYP1A2SMN1; SMN2 | |
| SCHEMBL1511329 | 0.75 | HDAC3 (0.44) | HDAC1POLBALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL356020 | 0.74 | LMNA (0.47) | TSHRALDH1A1LMNAMEN1KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2403846-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F. Hoffmann-La Roche AG (CH) | 2012-01-11 | — | — | EP | disclosed |
| EP-2300459-A1 | NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2011-03-30 | — | — | EP | disclosed |
| EP-2242749-A1 | NOVEL PYRIDINONES AND PYRIDAZINONES | F. Hoffmann-La Roche AG (CH) | 2010-10-27 | — | — | EP | disclosed |
| WO-2010100070-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010000633-A1 | NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-07 | — | — | WO | disclosed |
| WO-2009098144-A1 | NOVEL PYRIDINONES AND PYRIDAZINONES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-08-13 | — | — | WO | disclosed |
| EP-1658269-A1 | FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | Abbott Laboratories (US) | 2006-05-24 | — | — | EP | disclosed |
| WO-2004111009-A1 | FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | ABBOTT LABORATORIES (US) | 2004-12-23 | — | — | WO | disclosed |