Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18003544 | 0.81 | ALOX5 (0.42) | ALDH1A1KDM4EMAPTKDM4CLMNA | |
| SCHEMBL18003191 | 0.81 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL8989194 | 0.80 | ADORA2B (0.44) | ALDH1A1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL23444495 | 0.78 | MEN1 (0.50) | PARP1ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL8989143 | 0.73 | PPARG (0.47) | PARP1ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL1544992 | 0.73 | ALDH1A1 (0.47) | PARP1ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL5418012 | 0.73 | PTGS2 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL28536742 | 0.72 | MAPT (0.50) | PARP1ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL22494221 | 0.70 | RAB9A (0.62) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL28277279 | 0.69 | KDM4E (0.66) | PARP1ALDH1A1NPC1RAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5545645-A | Heterocyclic derivatives in the treatment of ischaemia and related diseases | SYNTEX PHARMACEUTICALS, LIMITED (GB) | 1996-08-13 | — | — | US | disclosed |
| US-5428037-A | Piperazine derivatives; calcium and sodium channel antagonists | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1995-06-27 | — | — | US | disclosed |