Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 4/20 | 0.59 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.59 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.59 |
| ▸ | PLAU | P00749 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 2/20 | 0.46 |
| ▸ | NOS1 | P29475 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 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 | |
|---|---|---|---|---|
| SCHEMBL30189924 | 0.79 | TBXA2R (0.42) | ADRA2AADRA2BADRA2CPLAUKMT2A | |
| SCHEMBL28294254 | 0.79 | TBXA2R (0.42) | ADRA2AADRA2BADRA2CPLAUKMT2A | |
| Hydrochloric Acid SCHEMBL11378117 | 0.79 | ADRA2A (0.56) | ADRA2AADRA2BADRA2CPLAUMAOA | |
| Hydrochloric Acid SCHEMBL11378120 | 0.79 | ADRA2A (0.56) | ADRA2AADRA2BADRA2CPLAUMAOA | |
| SCHEMBL9957060 | 0.76 | TBXA2R (0.40) | ADRA2AADRA2BADRA2CPLAUAGTR1 | |
| SCHEMBL14911726 | 0.76 | PLAU (0.42) | ADRA2AADRA2BADRA2CPLAUAGTR1 | |
| SCHEMBL15018062 | 0.76 | AGTR1 (0.36) | ADRA2AADRA2BADRA2CPLAUMAOA | |
| SCHEMBL30781991 | 0.76 | ASIC3 (0.49) | ADRA2AADRA2BADRA2CPLAUAGTR1 | |
| SCHEMBL30949907 | 0.74 | KDM4C (0.54) | PLAUKDM4E | |
| SCHEMBL2226462 | 0.74 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CPLAUNOS3 |
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-2023165574-A1 | COMPOUND USED AS TYK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 上海致根医药科技有限公司 | 2023-09-07 | — | — | WO | disclosed |
| EP-2632464-B1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME (US) | 2015-04-29 | — | — | EP | disclosed |
| US-20130253185-A1 | NOVEL CATALYSTS | DALHOUSIE UNIVERSITY (CA) | 2013-09-26 | — | — | US | disclosed |
| US-20130253185-A1 | NOVEL CATALYSTS | DALHOUSIE UNIVERSITY (CA) | 2013-09-26 | — | — | US | disclosed |
| EP-2632464-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058134-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |