Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | VCP | P55072 | 1/20 | 0.34 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.34 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.34 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.34 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27783419 | 0.98 | IDO1 (0.41) | IDO1TDO2TSHRNPSR1LMNA | |
| SCHEMBL15828792 | 0.82 | IDO1 (0.42) | IDO1TSHRKCNH2CA12CA1 | |
| Hydrochloric Acid SCHEMBL29142225 | 0.80 | IDO1 (0.41) | IDO1TSHRKCNH2CA12CA1 | |
| SCHEMBL29661835 | 0.78 | CA12 (0.38) | TSHRLMNACA12CA1CA2 | |
| SCHEMBL31099069 | 0.78 | RAPGEF4 (0.50) | IDO1TSHRLMNAKCNH2KIF11 | |
| SCHEMBL1421215 | 0.78 | RAPGEF4 (0.50) | IDO1TSHRLMNAKCNH2KIF11 | |
| SCHEMBL11742333 | 0.78 | CA12 (0.38) | TSHRLMNACA12CA1CA2 | |
| SCHEMBL11425451 | 0.77 | IDO1 (0.39) | IDO1TDO2TSHRNPSR1LMNA | |
| SCHEMBL16966569 | 0.77 | ABL1 (0.44) | IDO1TDO2TSHRNPSR1LMNA | |
| Hydrochloric Acid SCHEMBL2020526 | 0.76 | IDO1 (0.38) | IDO1TDO2TSHRNPSR1LMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3889156-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |
| EP-3312160-A1 | HEPATITIS B ANTIVIRAL AGENTS | Novira Therapeutics Inc. (US) | 2018-04-25 | — | — | EP | disclosed |
| EP-2794565-B1 | HEPATITIS B ANTIVIRAL AGENTS | NOVIRA THERAPEUTICS INC (US) | 2017-07-26 | — | — | EP | disclosed |
| US-9061008-B2 | Hepatitis B antiviral agents | NOVIRA THERAPEUTICS, INC. (US) | 2015-06-23 | — | — | US | disclosed |
| CN-102036996-A | Bridged heterocycles as HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO | 2011-04-27 | — | — | CN | disclosed |
| CN-1989141-B | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO | 2010-06-16 | — | — | CN | disclosed |
| CN-1989141-A | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2007-06-27 | — | — | CN | disclosed |