Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | PKM | P14618 | 5/20 | 0.52 |
| ▸ | ATG4B | Q9Y4P1 | 7/20 | 0.51 |
| ▸ | STAT3 | P40763 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | GSK3A | P49840 | 2/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MLNR | O43193 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL10211140 | 0.89 | RAB9A (0.53) | NPC1RAB9AMEN1KMT2APKM | |
| SCHEMBL375797 | 0.87 | NPC1 (0.47) | NPC1RAB9AMEN1KMT2APKM | |
| Hydrochloric Acid SCHEMBL375506 | 0.86 | NPC1 (0.55) | NPC1RAB9AMEN1KMT2APKM | |
| SCHEMBL876378 | 0.76 | STAT3 (0.64) | NPC1RAB9AMEN1KMT2APKM | |
| SCHEMBL10257101 | 0.74 | NPC1 (0.49) | NPC1RAB9AMEN1KMT2APKM | |
| SCHEMBL10211139 | 0.71 | STAT3 (0.67) | NPC1RAB9AMEN1KMT2APKM | |
| SCHEMBL29056983 | 0.71 | STAT3 (0.53) | NPC1RAB9AMEN1KMT2APKM | |
| SCHEMBL376276 | 0.71 | MEN1 (0.62) | NPC1RAB9AMEN1KMT2APKM | |
| SCHEMBL30142671 | 0.70 | STAT3 (0.66) | NPC1RAB9AMEN1KMT2APKM | |
| SCHEMBL1804666 | 0.69 | NPC1 (0.76) | NPC1RAB9AMEN1KMT2APKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632460-A2 | COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS | University Of Virginia Patent Foundation (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012040170-A2 | COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2012-03-29 | — | — | WO | disclosed |