Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6957033 | 0.93 | ADRA1D (0.37) | ALDH1A1ADRA1DTP53GABRA5GABRA1 | |
| SCHEMBL6969475 | 0.93 | ALDH1A1 (0.37) | ALDH1A1LMNAADRA1DTP53GRIN1 | |
| SCHEMBL6967425 | 0.92 | ALDH1A1 (0.40) | ALDH1A1LMNATP53GRIN1GRIN2B | |
| SCHEMBL6973316 | 0.92 | ALDH1A1 (0.39) | ALDH1A1LMNAADRA1DTP53GRIN1 | |
| SCHEMBL6960281 | 0.91 | PIM1 (0.36) | TP53KMT2ATDP1 | |
| SCHEMBL6966621 | 0.91 | TDP1 (0.40) | LMNATP53KMT2ATDP1 | |
| SCHEMBL6973497 | 0.90 | ALDH1A1 (0.38) | ALDH1A1LMNAADRA1DTP53GRIN1 | |
| SCHEMBL7078901 | 0.90 | ALDH1A1 (0.40) | ALDH1A1LMNATP53GRIN1GRIN2B | |
| SCHEMBL7086385 | 0.90 | TLR7 (0.35) | ALDH1A1LMNAGABRA5GABRA1S1PR3 | |
| SCHEMBL6973942 | 0.88 | RXFP1 (0.40) | ALDH1A1LMNA |
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 |