Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939775 | 0.91 | NPSR1 (0.52) | HTR7KMT2AALDH1A1KDM4ENPSR1 | |
| SCHEMBL14939945 | 0.89 | NPSR1 (0.44) | KMT2AALDH1A1KDM4ENPSR1MAPT | |
| SCHEMBL14938747 | 0.89 | NPSR1 (0.44) | HTR7KMT2AALDH1A1KDM4ENPSR1 | |
| SCHEMBL14940114 | 0.88 | NPSR1 (0.41) | HTR7KMT2AALDH1A1KDM4ENPSR1 | |
| SCHEMBL14939295 | 0.87 | NPSR1 (0.40) | HTR7KMT2AALDH1A1KDM4ENPSR1 | |
| SCHEMBL14939053 | 0.87 | NPSR1 (0.45) | KMT2AALDH1A1KDM4ENPSR1MAPT | |
| SCHEMBL14939877 | 0.86 | NPSR1 (0.47) | HTR7KMT2AALDH1A1KDM4ENPSR1 | |
| SCHEMBL14939610 | 0.85 | NPSR1 (0.60) | KMT2AALDH1A1KDM4ENPSR1MAPT | |
| SCHEMBL14939943 | 0.84 | NPSR1 (0.41) | ALDH1A1NPSR1MAPTHTTLMNA | |
| SCHEMBL14939609 | 0.84 | NPSR1 (0.52) | HTR7KMT2AALDH1A1NPSR1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | claimed |
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |