Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL15452634 | 0.86 | CYP19A1 (0.46) | TSHRHTTKMT2AMEN1LMNA | |
| SCHEMBL942208 | 0.79 | TSHR (0.47) | TSHRHTTKMT2AMEN1LMNA | |
| SCHEMBL19975766 | 0.77 | HTT (0.43) | TSHRHTTKMT2AMEN1LMNA | |
| SCHEMBL782341 | 0.71 | CYP19A1 (0.48) | TSHRHTTKMT2AMEN1LMNA | |
| SCHEMBL589656 | 0.71 | TSHR (0.56) | TSHRHTTKMT2AMEN1LMNA | |
| SCHEMBL15354544 | 0.69 | TSHR (0.48) | TSHRHTTKMT2AMEN1LMNA | |
| SCHEMBL28900485 | 0.68 | CYP19A1 (0.62) | TSHRHTTKMT2AMEN1LMNA | |
| SCHEMBL2659395 | 0.67 | ALDH1A1 (0.57) | TSHRHTTKMT2AMEN1LMNA | |
| SCHEMBL1362507 | 0.67 | TSHR (0.56) | TSHRHTTKMT2AMEN1LMNA | |
| SCHEMBL11613442 | 0.66 | TSHR (0.44) | TSHRHTTKMT2AMEN1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013059587-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2013-04-25 | — | — | WO | disclosed |