Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.39 |
| ▸ | ITK | Q08881 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6906797 | 0.99 | SIGMAR1 (0.48) | ACHESIGMAR1NR1I2LMNAADRA2A | |
| SCHEMBL6915496 | 0.85 | ACHE (0.49) | ACHESIGMAR1NR1I2LMNAADRA2A | |
| Hydrochloric Acid SCHEMBL6914315 | 0.84 | SIGMAR1 (0.48) | ACHESIGMAR1NR1I2LMNAADRA2A | |
| SCHEMBL6911664 | 0.83 | ACHE (0.47) | ACHESIGMAR1NR1I2LMNAADRA2A | |
| Hydrochloric Acid SCHEMBL6915539 | 0.82 | ACHE (0.46) | ACHESIGMAR1NR1I2LMNAADRA2A | |
| SCHEMBL6911891 | 0.80 | SIGMAR1 (0.49) | ACHESIGMAR1NR1I2LMNAADRA2A | |
| SCHEMBL6911159 | 0.79 | SIGMAR1 (0.48) | ACHESIGMAR1NR1I2LMNAADRA2A | |
| SCHEMBL6911157 | 0.79 | SIGMAR1 (0.48) | ACHESIGMAR1NR1I2LMNAADRA2A | |
| SCHEMBL6911151 | 0.79 | SIGMAR1 (0.48) | ACHESIGMAR1NR1I2LMNAADRA2A | |
| Hydrochloric Acid SCHEMBL6911731 | 0.78 | SIGMAR1 (0.47) | ACHESIGMAR1NR1I2LMNAADRA2A |
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 |