Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.83 |
| ▸ | RAB9A | P51151 | 3/20 | 0.83 |
| ▸ | MEN1 | O00255 | 3/20 | 0.83 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.83 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.51 |
| ▸ | NAMPT | P43490 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | NR0B1 | P51843 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19476174 | 0.91 | NPC1 (0.70) | NPC1RAB9AMEN1KMT2ANAMPT | |
| SCHEMBL19476169 | 0.84 | RAB9A (0.64) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL7138736 | 0.77 | MEN1 (0.59) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL30648563 | 0.75 | RAB9A (0.88) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL23566394 | 0.74 | USP2 (0.68) | NPC1RAB9AMEN1KMT2APOLB | |
| SCHEMBL6174576 | 0.74 | RAB9A (0.61) | NPC1RAB9AMEN1KMT2ANAMPT | |
| SCHEMBL3820618 | 0.74 | HTT (0.66) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL14439750 | 0.74 | NPC1 (0.61) | NPC1RAB9AMEN1KMT2ANAMPT | |
| SCHEMBL7532358 | 0.74 | KMT2A (0.68) | NPC1RAB9AMEN1KMT2AHPGD | |
| SCHEMBL1002313 | 0.74 | MEN1 (0.53) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017177979-A1 | HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE | 中国科学院上海有机化学研究所 | 2017-10-19 | — | — | WO | disclosed |