Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL25428476 | 0.82 | NPC1 (0.41) | NPC1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL29370982 | 0.82 | KDM4E (0.39) | NPC1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL29374324 | 0.81 | NPC1 (0.41) | NPC1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL29374485 | 0.81 | NPC1 (0.41) | NPC1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL25427180 | 0.80 | OPRM1 (0.43) | NPC1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL29371363 | 0.80 | ALDH1A1 (0.44) | NPC1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL7172792 | 0.80 | LMNA (0.42) | NPC1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL29371874 | 0.79 | KDM4E (0.39) | NPC1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL29374272 | 0.77 | OPRM1 (0.39) | NPC1KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL29370977 | 0.76 | ALDH1A1 (0.42) | NPC1KDM4EALDH1A1MAPTHPGD |
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-2006011035-A1 | NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | GLENMARK PHARMACEUTICALS LTD. (US) | 2006-02-02 | — | — | WO | claimed |