Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 12/20 | 0.48 |
| ▸ | NPC1 | O15118 | 9/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | CASP3 | P42574 | 2/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16339676 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP3A4NOX1RAB9ANPC1 | |
| SCHEMBL12050032 | 0.81 | RAB9A (0.63) | CYP1A2CYP3A4NOX1RAB9ANPC1 | |
| SCHEMBL14638987 | 0.80 | NPC1 (0.56) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| SCHEMBL16218785 | 0.80 | NPC1 (0.56) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| SCHEMBL14638988 | 0.80 | NPC1 (0.56) | CYP1A2CYP3A4RAB9ANPC1MAPT | |
| Hydrochloric Acid SCHEMBL11640901 | 0.79 | CYP1A2 (0.49) | CYP1A2CYP3A4NOX1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL11640898 | 0.79 | CYP1A2 (0.49) | CYP1A2CYP3A4NOX1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL11641096 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP3A4NOX1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL11641098 | 0.78 | CYP1A2 (0.48) | CYP1A2CYP3A4NOX1RAB9ANPC1 | |
| SCHEMBL1357771 | 0.77 | RAB9A (0.72) | CYP1A2CYP3A4RAB9ANPC1MAPT |
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-2818471-A1 | Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5 | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-12-31 | — | — | EP | disclosed |