Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.41 |
| ▸ | NPC1 | O15118 | 7/20 | 0.41 |
| ▸ | RAB9A | P51151 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | CASP3 | P42574 | 3/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1165531 | 1.00 | CYP1A2 (0.41) | CYP1A2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL7916567 | 0.79 | CYP1A2 (0.48) | CYP1A2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL17226532 | 0.78 | MAPT (0.42) | CYP1A2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL12317671 | 0.74 | KDM4E (0.41) | CYP1A2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL13908870 | 0.74 | MAPT (0.40) | CYP1A2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL20417229 | 0.74 | CCR1 (0.38) | KDM4ENPC1RAB9AALDH1A1HPGD | |
| SCHEMBL17226510 | 0.73 | GAA (0.49) | CYP1A2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL24776541 | 0.72 | L3MBTL1 (0.40) | CYP1A2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL8041985 | 0.72 | CYP2A6 (0.46) | CYP1A2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL17429954 | 0.71 | MEN1 (0.42) | CYP1A2KDM4ENPC1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116600803-A | Macrocyclic urea orexin receptor agonists | 默沙东有限责任公司 | 2023-08-15 | — | — | CN | disclosed |