Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.42 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6703582 | 0.79 | NR4A1 (0.66) | S1PR1ALDH1A1CES2MAOBGAA | |
| SCHEMBL6703585 | 0.79 | NR4A1 (0.66) | S1PR1ALDH1A1CES2MAOBGAA | |
| SCHEMBL177360 | 0.79 | S1PR1 (0.59) | S1PR1ALDH1A1CES2MAOBSRD5A2 | |
| SCHEMBL177361 | 0.79 | S1PR1 (0.59) | S1PR1ALDH1A1CES2MAOBSRD5A2 | |
| SCHEMBL15980075 | 0.78 | CTNNB1 (0.60) | ALDH1A1CES2GAASRD5A2MEN1 | |
| SCHEMBL7961946 | 0.77 | CES2 (0.57) | S1PR1ALDH1A1CES2MAOBGAA | |
| SCHEMBL7961951 | 0.77 | CES2 (0.57) | S1PR1ALDH1A1CES2MAOBGAA | |
| SCHEMBL9869192 | 0.75 | ALDH1A1 (0.63) | ALDH1A1CES2MAOBSRD5A2MEN1 | |
| SCHEMBL7961170 | 0.75 | NPSR1 (0.55) | ALDH1A1CES2MAOBGAASRD5A2 | |
| SCHEMBL9869199 | 0.75 | ALDH1A1 (0.63) | ALDH1A1CES2MAOBSRD5A2MEN1 |
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-2269993-B1 | 2-AMINOQUINAZOLINE DERIVATIVE | KYOWA HAKKO KIRIN CO LTD (JP) | 2013-02-27 | — | — | EP | disclosed |