Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6971953 | 0.93 | ALDH1A1 (0.41) | ALDH1A1POLBNPSR1KMT2AGABRA5 | |
| SCHEMBL6973011 | 0.90 | MEN1 (0.34) | ALDH1A1MEN1KMT2AKDM4EPKM | |
| SCHEMBL6969897 | 0.89 | GRIN1 (0.38) | ALDH1A1KDM4ENOX4PKMSMN1; SMN2 | |
| SCHEMBL6975519 | 0.89 | ALDH1A1 (0.41) | ALDH1A1POLBNPSR1KDM4EHIF1A | |
| SCHEMBL6974146 | 0.86 | ALDH1A1 (0.36) | ALDH1A1POLBNPSR1CACNA1IMEN1 | |
| SCHEMBL6962497 | 0.86 | GRIN1 (0.39) | ALDH1A1KMT2AKDM4EPKMS1PR3 | |
| SCHEMBL6973275 | 0.86 | ALDH1A1 (0.36) | ALDH1A1POLBNPSR1CACNA1IMEN1 | |
| SCHEMBL7082609 | 0.83 | IDO1 (0.38) | ALDH1A1POLBKMT2AKDM4ETP53 | |
| SCHEMBL6972982 | 0.83 | MEN1 (0.41) | ALDH1A1NPSR1CACNA1IMEN1KMT2A | |
| SCHEMBL6972739 | 0.83 | RXFP1 (0.37) | ALDH1A1POLBMEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5910506-A | IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC | SHIONOGI & CO., LTD. (JP) | 1999-06-08 | — | — | US | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |