Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | TOP1 | P11387 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | LATS1 | O95835 | 1/20 | 0.39 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL11365506 | 0.89 | LATS1 (0.47) | KIF11TDO2TOP1LATS1LATS2 | |
| SCHEMBL11373185 | 0.86 | PRKCH (0.47) | LATS1LATS2KDM4EPOLBHTT | |
| SCHEMBL11364544 | 0.85 | XDH (0.49) | IDO1ADORA2APIM1CDK2CCNT1 | |
| SCHEMBL11373275 | 0.81 | ADORA2A (0.43) | ADORA2AKDM4EPOLBHTTRAD52 | |
| SCHEMBL6634946 | 0.80 | KDM4E (0.51) | IDO1TDO2ADORA2AKDM4EPOLB | |
| SCHEMBL4247683 | 0.79 | TOP1 (0.46) | KIF11TOP1PIM1LATS1LATS2 | |
| SCHEMBL11370533 | 0.77 | SYK (0.58) | IDO1TDO2KDM4EPOLB | |
| SCHEMBL11369901 | 0.76 | CYP19A1 (0.51) | ADORA2AKDM4EPOLBHTTRAD52 | |
| SCHEMBL11371126 | 0.75 | CYP1A2 (0.51) | TDO2PIM1KDM4EPOLBHTT | |
| SCHEMBL11372118 | 0.75 | KDM4E (0.43) | KDM4EPOLBHTTRAD52 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4260759-A | CONDENSATION OF NITRILES | SCHERING-CORPORATION (US) | 1981-04-07 | — | — | US | disclosed |
| US-4115395-A | FUNGICIDES, BACTERICIDES | SCHERING CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |
| US-4107166-A | ANTIFUNGAL, ANTIBACTERIAL | SCHERING CORPORATION (US) | 1978-08-15 | — | — | US | disclosed |
| US-4017500-A | FUNGICIDES, BACTERICIDES | SCHERING CORPORATION (US) | 1977-04-12 | — | — | US | disclosed |