Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28604914 | 0.77 | ALDH1A1 (0.49) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7522555 | 0.71 | ALDH1A1 (0.68) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL28729752 | 0.71 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL29433996 | 0.71 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL8097615 | 0.70 | ALDH1A1 (0.65) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL28996034 | 0.70 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL29687392 | 0.70 | ALDH1A1 (0.56) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL28054249 | 0.69 | ALDH1A1 (0.59) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL23045757 | 0.68 | ALDH1A1 (0.58) | ALDH1A1CYP2D6ATMLMNASMN1; SMN2 | |
| SCHEMBL13841864 | 0.68 | MAOB (0.56) | CYP2D6LTA4HPDE2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1928879-B1 | FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2013-02-13 | — | — | EP | claimed |