Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.60 |
| ▸ | GABRP | O00591 | 1/20 | 0.60 |
| ▸ | GABRD | O14764 | 1/20 | 0.60 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.60 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.60 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.60 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.60 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.60 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.60 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.60 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.60 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.60 |
| ▸ | GABRE | P78334 | 1/20 | 0.60 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.60 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.60 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.60 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.60 |
| ▸ | BLM | P54132 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL29439332 | 0.82 | GABRR1 (0.62) | TSHRGABRR1GABRPGABRDGABRA1 | |
| Hydrochloric Acid SCHEMBL15820340 | 0.81 | BLM (0.63) | TSHRGABRR1GABRPGABRDGABRA1 | |
| SCHEMBL24091437 | 0.80 | TSHR (0.55) | TSHRGABRR1GABRPGABRDGABRA1 | |
| SCHEMBL9497437 | 0.78 | — | — | |
| SCHEMBL9568927 | 0.77 | TSHR (0.72) | TSHRGABRR1GABRPGABRDGABRA1 | |
| SCHEMBL23442621 | 0.77 | TSHR (0.50) | TSHRGABRR1GABRPGABRDGABRA1 | |
| SCHEMBL3019512 | 0.77 | TSHR (0.60) | TSHRGABRR1GABRPGABRDGABRA1 | |
| Hydrochloric Acid SCHEMBL11557153 | 0.76 | BLM (0.61) | TSHRGABRR1GABRPGABRDGABRA1 | |
| Bromide SCHEMBL11553712 | 0.76 | TSHR (0.58) | TSHRGABRR1GABRPGABRDGABRA1 | |
| Isoguvacine SCHEMBL339700 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021057832-A1 | KRAS MUTANT PROTEIN INHIBITOR | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2021-04-01 | — | — | WO | disclosed |
| EP-2834239-A1 | HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS | Astrazeneca AB (SE) | 2015-02-11 | — | — | EP | disclosed |
| WO-2013150296-A1 | HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS | ASTRAZENECA AB (SE) | 2013-10-10 | — | — | WO | disclosed |