Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | GNRHR | P30968 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL14939181 | 0.95 | ALDH1A1 (0.41) | ALDH1A1GAAKMT2AKDM4ETDP1 | |
| SCHEMBL14939127 | 0.93 | ALDH1A1 (0.40) | ALDH1A1GAAKMT2AKDM4ETDP1 | |
| SCHEMBL14939125 | 0.93 | ALDH1A1 (0.40) | ALDH1A1GAAKMT2AKDM4ETDP1 | |
| SCHEMBL14939319 | 0.93 | ALDH1A1 (0.40) | ALDH1A1GAAKMT2AKDM4ETDP1 | |
| SCHEMBL14939462 | 0.92 | ALDH1A1 (0.38) | ALDH1A1GAAKMT2AKDM4EMEN1 | |
| SCHEMBL14939696 | 0.91 | GRIN2B (0.38) | ALDH1A1TDP1GNRHRMAPK1L3MBTL1 | |
| SCHEMBL14939231 | 0.91 | KMT2A (0.41) | ALDH1A1GAAKMT2AKDM4ETDP1 | |
| SCHEMBL14939000 | 0.91 | ALDH1A1 (0.36) | ALDH1A1GAAKMT2AKDM4ETDP1 | |
| SCHEMBL14940332 | 0.90 | ALDH1A1 (0.47) | ALDH1A1GAAKMT2AKDM4ETDP1 | |
| SCHEMBL14939132 | 0.88 | NPSR1 (0.47) | ALDH1A1GAAKMT2AKDM4ETDP1 |
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 |