Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APOBEC3A | P31941 | 1/20 | 0.48 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | QDPR | P09417 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13015008 | 0.93 | QDPR (0.49) | APOBEC3AAPOBEC3GKCNH2LSSATM | |
| SCHEMBL10079167 | 0.88 | KCNH2 (0.60) | KCNH2SLC6A2SLC6A4SLC6A3LSS | |
| SCHEMBL24394469 | 0.86 | KCNH2 (0.54) | KCNH2SLC6A2SLC6A4SLC6A3LSS | |
| SCHEMBL2077734 | 0.86 | KCNH2 (0.54) | KCNH2SLC6A2SLC6A4SLC6A3LSS | |
| SCHEMBL24394470 | 0.86 | KCNH2 (0.54) | KCNH2SLC6A2SLC6A4SLC6A3LSS | |
| SCHEMBL2606127 | 0.85 | QDPR (0.55) | LSSESR1ESR2FAAHQDPR | |
| SCHEMBL779666 | 0.82 | ATM (0.46) | SLC6A2SLC6A4SLC6A3ATMLMNA | |
| SCHEMBL18805040 | 0.80 | ATM (0.45) | ATMLMNAHTTESR2ALDH1A1 | |
| SCHEMBL126027 | 0.80 | ATM (0.45) | ATMLMNAHTTESR2ALDH1A1 | |
| SCHEMBL353495 | 0.78 | ESR2 (0.47) | ATMESR1ESR2CYP2D6 |
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-2927214-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-03-21 | — | — | EP | disclosed |