Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14939477 | 0.91 | TSHR (0.53) | ALDH1A1TSHRALDH3A1NR1H4DRD2 | |
| SCHEMBL14940471 | 0.86 | CXCR3 (0.48) | DRD2ACHENPSR1SIGMAR1 | |
| SCHEMBL14940161 | 0.86 | TSHR (0.49) | ALDH1A1TSHRALDH3A1NR1H4DRD2 | |
| SCHEMBL14939344 | 0.84 | CHRM2 (0.52) | ALDH1A1KDM4EDRD2DRD4ACHE | |
| SCHEMBL14939041 | 0.84 | HTR7 (0.40) | ALDH1A1 | |
| SCHEMBL14939534 | 0.83 | ALDH1A1 (0.49) | ALDH1A1TSHRALDH3A1KDM4ENR1H4 | |
| SCHEMBL14939140 | 0.83 | CXCR3 (0.53) | DRD2ACHESIGMAR1 | |
| SCHEMBL14939163 | 0.83 | ACHE (0.44) | ALDH1A1DRD2DRD4ACHEKMT2A | |
| SCHEMBL14939665 | 0.83 | ACHE (0.44) | ALDH1A1DRD2DRD4ACHEKMT2A | |
| SCHEMBL14940366 | 0.83 | ACHE (0.44) | ALDH1A1DRD2DRD4ACHEKMT2A |
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 |