Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GALR2 | O43603 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27831883 | 0.85 | TSHR (0.47) | TSHRLMNACYP3A4GPR35MEN1 | |
| SCHEMBL12913220 | 0.83 | GPR35 (0.44) | TSHRLMNACYP3A4GPR35MEN1 | |
| SCHEMBL19204031 | 0.83 | ALDH1A1 (0.41) | TSHRLMNACYP3A4GPR35MEN1 | |
| SCHEMBL8801989 | 0.79 | CYP1A2 (0.47) | TSHRLMNACYP3A4GPR35HTT | |
| SCHEMBL20278479 | 0.76 | TSHR (0.42) | TSHRLMNACYP3A4GPR35GALR2 | |
| SCHEMBL1828307 | 0.76 | TDP1 (0.42) | TSHRLMNACYP3A4GPR35MEN1 | |
| SCHEMBL38665481 | 0.76 | CYP1A2 (0.44) | TSHRLMNACYP3A4GPR35GALR2 | |
| SCHEMBL243414 | 0.73 | LMNA (0.46) | TSHRLMNACYP3A4GPR35MEN1 | |
| SCHEMBL8258380 | 0.72 | PIN1 (0.40) | TSHRLMNACYP3A4GPR35HTT | |
| SCHEMBL7006546 | 0.72 | TSHR (0.48) | TSHRLMNACYP3A4GPR35MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104968646-B | The inhibitor of Zeste homologues enhancer 2 | 葛兰素史密斯克莱有限责任公司 | 2017-09-05 | — | — | CN | disclosed |
| EP-2294065-B1 | INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY | VERNALIS R&D LTD (GB) | 2014-03-19 | — | — | EP | disclosed |