Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4629920 | 0.81 | NOTUM (0.44) | KMT2ATSHRALDH1A1NOTUMMAPK1 | |
| SCHEMBL3391220 | 0.77 | ALDH1A1 (0.42) | KMT2AALDH1A1HSD17B10NOTUMALOX15 | |
| SCHEMBL4176193 | 0.77 | NOTUM (0.50) | CYP3A4KMT2ANPSR1TSHRALDH1A1 | |
| SCHEMBL8818919 | 0.76 | KMT2A (0.47) | CYP3A4KMT2ATSHRALDH1A1HSD17B10 | |
| SCHEMBL4630078 | 0.75 | NOTUM (0.47) | CYP3A4KMT2ATSHRALDH1A1HSD17B10 | |
| SCHEMBL4630982 | 0.75 | NOTUM (0.44) | CYP3A4KMT2ATSHRALDH1A1NOTUM | |
| SCHEMBL28226817 | 0.73 | KMT2A (0.49) | KMT2ATSHRALDH1A1HSD17B10NOTUM | |
| SCHEMBL31033005 | 0.73 | KMT2A (0.49) | KMT2ATSHRALDH1A1HSD17B10NOTUM | |
| SCHEMBL6470773 | 0.72 | NOTUM (0.43) | CYP3A4KMT2ATSHRALDH1A1NOTUM | |
| SCHEMBL4709914 | 0.72 | NOTUM (0.44) | KMT2ATSHRNOTUMMAPK1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1799797-B1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2008-05-14 | — | — | EP | claimed |