Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.58 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 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 | |
|---|---|---|---|---|
| SCHEMBL6905686 | 0.81 | SIGMAR1 (0.48) | ACHECYP2D6SIGMAR1KCNH2NR1I2 | |
| SCHEMBL6914436 | 0.81 | CYP2D6 (0.60) | ACHECYP2D6SIGMAR1KCNH2NR1I2 | |
| SCHEMBL6911981 | 0.79 | CYP2D6 (0.55) | ACHECYP2D6SIGMAR1KCNH2NR1I2 | |
| Hydrochloric Acid SCHEMBL6911781 | 0.78 | LMNA (0.54) | ACHECYP2D6SIGMAR1KCNH2NR1I2 | |
| SCHEMBL6912639 | 0.76 | LMNA (0.45) | ACHECYP2D6SIGMAR1KCNH2NR1I2 | |
| SCHEMBL6910453 | 0.74 | SIGMAR1 (0.52) | ACHECYP2D6SIGMAR1KCNH2NR1I2 | |
| Butenafine SCHEMBL65526 | 0.73 | CYP2D6 (1.00) | ACHECYP2D6SIGMAR1KCNH2NR1I2 | |
| Butenafine SCHEMBL29354083 | 0.73 | CYP2D6 (1.00) | ACHECYP2D6SIGMAR1KCNH2NR1I2 | |
| Butenafine SCHEMBL20456391 | 0.73 | CYP2D6 (1.00) | ACHECYP2D6SIGMAR1KCNH2NR1I2 | |
| SCHEMBL6906283 | 0.73 | CYP2D6 (0.65) | ACHECYP2D6SIGMAR1KCNH2NR1I2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1112998-B1 | AMINE DERIVATIVES | POLA CHEM IND INC (JP) | 2004-12-08 | — | — | EP | disclosed |
| US-6586633-B1 | Antifungal agents | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2003-07-01 | — | — | US | disclosed |
| EP-1112998-A1 | AMINE DERIVATIVES | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2001-07-04 | — | — | EP | disclosed |