Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 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 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL6966647 | 1.00 | ALDH1A1 (0.38) | ALDH1A1LMNAKDM4EHTTTSHR | |
| SCHEMBL6970763 | 0.93 | SRC (0.34) | ALDH1A1GRIN1GRIN2BTP53GABRA5 | |
| SCHEMBL6970767 | 0.93 | SRC (0.34) | ALDH1A1GRIN1GRIN2BTP53GABRA5 | |
| SCHEMBL6960647 | 0.91 | IDO1 (0.36) | ALDH1A1KDM4EHTTSMN1; SMN2TP53 | |
| SCHEMBL6960641 | 0.91 | IDO1 (0.36) | ALDH1A1KDM4EHTTSMN1; SMN2TP53 | |
| SCHEMBL6973263 | 0.89 | GRIN1 (0.39) | GRIN1GRIN2BPKMSRCHPGD | |
| SCHEMBL6973265 | 0.89 | GRIN1 (0.39) | GRIN1GRIN2BPKMSRCHPGD | |
| SCHEMBL8099988 | 0.89 | ALOX5AP (0.35) | ALDH1A1KDM4EHTTGAASMN1; SMN2 | |
| SCHEMBL8099986 | 0.89 | ALOX5AP (0.35) | ALDH1A1KDM4EHTTGAASMN1; SMN2 | |
| SCHEMBL6970594 | 0.88 | ALDH1A1 (0.40) | ALDH1A1LMNAKDM4EHTTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |