Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 3/20 | 0.85 |
| ▸ | GABRD | O14764 | 3/20 | 0.85 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.85 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.85 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.85 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.85 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.85 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.85 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.85 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.85 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.85 |
| ▸ | GABRE | P78334 | 3/20 | 0.85 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.85 |
| ▸ | GABRG1 | Q8N1C3 | 3/20 | 0.85 |
| ▸ | GABRG3 | Q99928 | 3/20 | 0.85 |
| ▸ | GABRQ | Q9UN88 | 3/20 | 0.85 |
| ▸ | NNMT | P40261 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL42011 | 0.92 | GABRP (1.00) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL29530489 | 0.92 | GABRP (1.00) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2027693 | 0.92 | GABRP (1.00) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL30963385 | 0.90 | GABRP (0.96) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Hydrochloric Acid SCHEMBL4686219 | 0.90 | GABRP (0.96) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL29056072 | 0.90 | GABRP (0.96) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Carbamic Acid SCHEMBL9949749 | 0.88 | GABRP (0.92) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Pyridine SCHEMBL11262816 | 0.81 | GABRP (0.79) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Ether SCHEMBL27550686 | 0.79 | GABRP (0.73) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL16853374 | 0.77 | GABRP (0.72) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020124500-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 江苏凯迪恩医药科技有限公司 | 2020-06-25 | — | — | WO | disclosed |
| CN-110300586-A | ANTI-INFLAMMATORY COMPOSITIONS COMPRISING IRAK AND JAK INHIBITORS | 加拉帕戈斯股份有限公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-108137584-A | 6- [5- amino -6- (2- ethoxy ethoxies)-imidazo [4,5-B] pyridin-3-yl]-nicotinic acid nitrile derivative as IRAK inhibitor and application thereof | 加拉帕戈斯股份有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-105102456-B | Azaquinazoline inhibitors of atypical protein kinase C | 癌症研究技术有限公司 | 2017-11-14 | — | — | CN | disclosed |
| CN-105102456-A | Azaquinazoline inhibitors of atypical protein kinase C | IGNYTA INC | 2015-11-25 | — | — | CN | disclosed |
| CN-101321525-B | Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors | HOFFMANN LA ROCHE | 2013-01-30 | — | — | CN | disclosed |