Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.65 |
| ▸ | RAB9A | P51151 | 10/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.65 |
| ▸ | MEN1 | O00255 | 5/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.65 |
| ▸ | CASP3 | P42574 | 1/20 | 0.59 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.59 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.59 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.57 |
| ▸ | RELA | Q04206 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 5/20 | 0.56 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14881038 | 0.83 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL14881187 | 0.83 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL10066202 | 0.81 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL1752748 | 0.79 | NPC1 (0.75) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL1821678 | 0.79 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL5027286 | 0.78 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL18236257 | 0.78 | RAB9A (0.70) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL5027153 | 0.76 | NPC1 (0.70) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL1820681 | 0.75 | SMN1; SMN2 (0.64) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL1821021 | 0.75 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2MEN1KMT2A |
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-2013056679-A1 | NOVEL HETEROARYL-AMINO DERIVATIVES | BEIJING HANMI PHARMACEUTICAL CO., LTD (CN) | 2013-04-25 | — | — | WO | disclosed |