Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.49 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL19720609 | 0.84 | CES2 (0.67) | CES2MEN1KMT2ANPSR1SRD5A2 | |
| SCHEMBL4947449 | 0.81 | CES2 (0.59) | CES2MEN1KMT2AP2RX1GAA | |
| SCHEMBL39834 | 0.79 | CES2 (0.71) | CES2MEN1KMT2ANPSR1SRD5A2 | |
| SCHEMBL30093723 | 0.79 | CES2 (0.71) | CES2MEN1KMT2ANPSR1SRD5A2 | |
| SCHEMBL8504114 | 0.79 | MAPK1 (0.63) | CES2MEN1KMT2ANPSR1SRD5A2 | |
| SCHEMBL6998773 | 0.79 | CES2 (0.61) | CES2MEN1KMT2ANPSR1SRD5A2 | |
| SCHEMBL3176325 | 0.79 | CES2 (1.00) | CES2MEN1KMT2ANPSR1SRD5A2 | |
| SCHEMBL1237189 | 0.79 | SRD5A2 (0.79) | CES2MEN1KMT2ANPSR1SRD5A2 | |
| SCHEMBL20870672 | 0.79 | CES2 (0.65) | CES2MEN1KMT2ANPSR1SRD5A2 | |
| Hydrochloric Acid SCHEMBL7827433 | 0.78 | MAPK1 (0.61) | CES2MEN1KMT2ANPSR1SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5795899-A | Soluble salts of 4-amino-2-(4,4-dimethylimidazolidin-2-on-1-yl) pyrimidine-5-carboxylic acid N-methyl-N-(3-trifluoromethylphenyl)-amide, a process for the preparation thereof, the use thereof as pharmaceuticals and starting materials | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-08-18 | — | — | US | disclosed |