Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8650931 | 0.89 | ATM (0.37) | ALDH1A1ATMCYP1A2CYP3A4CYP1A1 | |
| SCHEMBL8646248 | 0.89 | MAPT (0.43) | ALDH1A1ATMCYP1A2CYP3A4CYP1A1 | |
| SCHEMBL8647153 | 0.88 | CYP1A1 (0.47) | ALDH1A1ATMCYP1A2CYP3A4CYP1A1 | |
| SCHEMBL8650932 | 0.86 | NPC1 (0.42) | ALDH1A1CYP1A2CYP3A4CYP1A1CYP2D6 | |
| SCHEMBL8648666 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TDP1ATMCYP1A2CYP3A4 | |
| SCHEMBL8644182 | 0.82 | F7 (0.41) | ALDH1A1TDP1ATMCYP1A2CYP3A4 | |
| SCHEMBL8644322 | 0.82 | MAPT (0.42) | ALDH1A1CYP3A4CYP2C19PTGS2SMN1; SMN2 | |
| SCHEMBL8646761 | 0.81 | CYP3A4 (0.45) | ALDH1A1CYP1A2CYP3A4CYP1A1CYP2D6 | |
| SCHEMBL8648674 | 0.81 | KMT2A (0.47) | ALDH1A1TDP1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8643116 | 0.76 | KMT2A (0.37) | ALDH1A1ATMSMN1; SMN2KMT2AMEN1 |
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-0861831-A1 | HETEROARYL-SUBSTITUTED ACRYLOYLGUANIDINE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1998-09-02 | — | — | EP | disclosed |