Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | PDE10A | Q9Y233 | 10/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10991342 | 0.86 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2TP53NPC1RAB9A | |
| SCHEMBL10983736 | 0.82 | SMN1; SMN2 (0.70) | ALDH1A1SMN1; SMN2TP53NPC1RAB9A | |
| SCHEMBL10993816 | 0.82 | CES2 (0.54) | ALDH1A1HPGDHSD17B10PDE10ACES2 | |
| SCHEMBL10994785 | 0.81 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2TP53NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL10983005 | 0.80 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2TP53NPC1RAB9A | |
| SCHEMBL10991068 | 0.77 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2TP53NPC1RAB9A | |
| SCHEMBL10987505 | 0.77 | SMN1; SMN2 (0.62) | ALDH1A1SMN1; SMN2TP53NPC1RAB9A | |
| SCHEMBL10992472 | 0.76 | ALDH1A1 (0.47) | ALDH1A1HPGDHSD17B10PDE10ACES2 | |
| SCHEMBL10990086 | 0.76 | SMN1; SMN2 (0.62) | ALDH1A1SMN1; SMN2TP53NPC1RAB9A | |
| SCHEMBL16606385 | 0.74 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2TP53NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-4497814-A | 2-(Pyridinyl)-1,2,4-triazolo[1,5-a]pyrimidines and derivatives useful in increasing cardiac contractility | SCHERING CORPORATION (US) | 1985-02-05 | — | — | US | disclosed |