Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TKT | P29401 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2071638 | 0.84 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL11260015 | 0.78 | ADORA2A (0.57) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL2068990 | 0.78 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL5925906 | 0.74 | LMNA (0.40) | TKTDHFRLMNAKDM4E | |
| SCHEMBL27871327 | 0.72 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL482479 | 0.71 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL31506189 | 0.70 | ITK (0.40) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL26985823 | 0.70 | ITK (0.40) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL27735106 | 0.70 | FGFR1 (0.49) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL4144361 | 0.70 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 |
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-102656164-A | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMA | 2012-09-05 | — | — | CN | disclosed |