Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | GSR | P00390 | 1/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 5/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | BRD2 | P25440 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2092874 | 0.74 | NR1H4 (0.42) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL314833 | 0.72 | BRD4 (0.47) | NPC1MEN1KMT2ANR1H4RAB9A | |
| SCHEMBL7377440 | 0.68 | ABCC4 (0.42) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL16863686 | 0.68 | PTGS1 (0.42) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL3645802 | 0.68 | S1PR1 (0.40) | MEN1KMT2APOLBNR1H4L3MBTL1 | |
| SCHEMBL6452700 | 0.68 | NOTUM (0.43) | ALDH1A1NPC1GPR55NR1H4RAB9A | |
| SCHEMBL436193 | 0.66 | CYP1A2 (0.47) | ALDH1A1NPC1MEN1KMT2AKDM4E | |
| SCHEMBL3150963 | 0.66 | MEN1 (0.38) | ALDH1A1NPC1MEN1KMT2APOLB | |
| SCHEMBL1312698 | 0.61 | RAB9A (0.55) | ALDH1A1NPC1MEN1KMT2ARAB9A | |
| SCHEMBL14562709 | 0.61 | NR1H4 (0.57) | NPC1POLBNR1H4RAB9ASMN1; SMN2 |
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-2005009354-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY | PHARMACIA CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |