Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | MMP12 | P39900 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24844709 | 0.86 | MMP12 (0.51) | NPC1RAB9AMMP2MMP9MMP12 | |
| SCHEMBL2421526 | 0.80 | LMNA (0.54) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29045186 | 0.77 | NPC1 (0.38) | NPC1RAB9AMMP2MMP9MMP12 | |
| SCHEMBL1961672 | 0.76 | LMNA (0.49) | NPC1RAB9ACYP3A4MMP2MMP9 | |
| SCHEMBL564394 | 0.76 | NPC1 (0.38) | NPC1RAB9AMMP2MMP9MMP12 | |
| SCHEMBL8648815 | 0.75 | NPC1 (0.46) | NPC1RAB9APOLB | |
| SCHEMBL8863229 | 0.74 | LMNA (0.50) | NPC1RAB9ACYP3A4MMP2POLB | |
| SCHEMBL9738958 | 0.74 | LMNA (0.50) | NPC1RAB9ACYP3A4MMP2POLB | |
| SCHEMBL25475157 | 0.73 | NPC1 (0.40) | NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL10815933 | 0.73 | KMT2A (0.41) | NPC1RAB9AALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20230002679-A1 | COMPOUND AND LIQUID CRYSTAL COMPOSITION | FUJIFILM CORPORATION (JP) | 2023-01-05 | — | — | US | disclosed |