Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.40 |
| ▸ | ECE1 | P42892 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31003152 | 0.86 | NPC1 (0.46) | RAB9ASMN1; SMN2NPC1HSD17B10DYRK1A | |
| SCHEMBL17417271 | 0.79 | NPC1 (0.46) | RAB9ASMN1; SMN2NPC1MGAMHSD17B10 | |
| SCHEMBL17417344 | 0.76 | NPC1 (0.44) | RAB9ASMN1; SMN2NPC1MGAMHSD17B10 | |
| SCHEMBL7916573 | 0.74 | CYP1A2 (0.43) | RAB9ASMN1; SMN2NPC1HSD17B10DYRK1A | |
| SCHEMBL8269418 | 0.71 | SMN1; SMN2 (0.43) | RAB9ASMN1; SMN2NPC1HSD17B10DYRK1A | |
| SCHEMBL8357703 | 0.71 | SMN1; SMN2 (0.40) | RAB9ASMN1; SMN2NPC1HSD17B10DYRK1A | |
| SCHEMBL1105986 | 0.70 | NPC1 (1.00) | RAB9ASMN1; SMN2NPC1HSD17B10ALDH1A1 | |
| SCHEMBL2175934 | 0.70 | MGAM (0.64) | RAB9ASMN1; SMN2MGAMHSD17B10ALDH1A1 | |
| SCHEMBL286929 | 0.69 | MGAM (0.48) | MGAMHSD17B10ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL5623383 | 0.69 | ALDH1A1 (0.59) | RAB9ASMN1; SMN2NPC1MGAMALDH1A1 |
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-2016010897-A1 | BICYCLIC HETEROAROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS | INCYTE CORPORATION (US) | 2016-01-21 | — | — | WO | disclosed |