Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 8/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL4023712 | 0.81 | KDM4E (0.51) | KDM4ELMNAMAPTRAB9APOLB | |
| SCHEMBL1093841 | 0.80 | TRPA1 (0.53) | TRPA1CYP3A4KDM4EKMT2AMEN1 | |
| SCHEMBL1022418 | 0.79 | CYP3A4 (0.63) | TRPA1CYP3A4KMT2AMEN1LMNA | |
| SCHEMBL18874914 | 0.75 | KDM4E (0.46) | KDM4ELMNAMAPTRAB9APOLB | |
| SCHEMBL8678979 | 0.74 | CYP3A4 (0.68) | TRPA1CYP3A4KMT2AMEN1LMNA | |
| SCHEMBL14293379 | 0.73 | KDM4E (0.44) | KDM4ELMNAMAPTRAB9APOLB | |
| SCHEMBL1093410 | 0.71 | CA1 (0.46) | TRPA1CYP3A4KDM4EKMT2AMEN1 | |
| SCHEMBL31609061 | 0.70 | NOTUM (0.57) | KDM4ELMNAPOLBNOTUMALDH1A1 | |
| SCHEMBL24890732 | 0.70 | CA1 (0.45) | CYP3A4KDM4EKMT2AMEN1LMNA | |
| SCHEMBL40349 | 0.69 | CYP4F2 (0.51) | MAPTNPC1RAB9ASMN1; SMN2POLB |
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-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |