Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939146 | 1.00 | NR1H4 (0.53) | NR1H4ALDH1A1ALDH3A1LMNADRD2 | |
| SCHEMBL14939801 | 1.00 | NR1H4 (0.53) | NR1H4ALDH1A1ALDH3A1LMNADRD2 | |
| SCHEMBL14939534 | 0.91 | ALDH1A1 (0.49) | NR1H4ALDH1A1ALDH3A1LMNADRD2 | |
| SCHEMBL14939175 | 0.83 | NPSR1 (0.64) | LMNADRD2HTTL3MBTL1 | |
| SCHEMBL14940373 | 0.83 | NPSR1 (0.64) | LMNADRD2HTTL3MBTL1 | |
| SCHEMBL14939625 | 0.83 | NPSR1 (0.64) | LMNADRD2HTTL3MBTL1 | |
| SCHEMBL14939620 | 0.83 | NPSR1 (0.68) | NR1H4ALDH1A1ALDH3A1LMNATSHR | |
| SCHEMBL14939477 | 0.81 | TSHR (0.53) | NR1H4ALDH1A1ALDH3A1LMNADRD2 | |
| SCHEMBL14939037 | 0.79 | NPSR1 (0.58) | LMNADRD2TSHRCYP2D6HTT | |
| SCHEMBL14939381 | 0.78 | NPSR1 (0.54) | LMNADRD2OPRL1TSHRCYP2D6 |
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-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |