Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2727597 | 0.85 | ERN1 (0.43) | TSHRALDH1A1SMN1; SMN2TDP1LMNA | |
| SCHEMBL168585 | 0.85 | KMT2A (0.48) | TSHRAKR1B1ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL5274928 | 0.80 | TSHR (0.45) | TSHRAKR1B1ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL5954018 | 0.76 | TRPA1 (0.45) | TSHRALDH1A1LMNAMAPK1HSD17B10 | |
| SCHEMBL5071067 | 0.76 | AKR1B1 (0.44) | TSHRAKR1B1ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL23507137 | 0.76 | P2RX7 (0.40) | AKR1B1ALDH1A1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL3712558 | 0.76 | MAOB (0.38) | ALDH1A1SMN1; SMN2KMT2AMEN1TDP1 | |
| SCHEMBL21811819 | 0.76 | CYP3A4 (0.37) | TSHRALDH1A1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL29569478 | 0.76 | TAAR1 (0.55) | ALDH1A1SMN1; SMN2KMT2AMEN1TDP1 | |
| SCHEMBL1460113 | 0.76 | TAAR1 (0.55) | ALDH1A1SMN1; SMN2KMT2AMEN1TDP1 |
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-4041238-A1 | ORAL COMPLEMENT FACTOR D INHIBITORS | Biocryst Pharmaceuticals, Inc. (US) | 2022-08-17 | — | — | EP | disclosed |
| WO-2021072198-A1 | ORAL COMPLEMENT FACTOR D INHIBITORS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2021-04-15 | — | — | WO | disclosed |
| EP-2459568-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Frosst Canada Limited (CA) | 2012-06-06 | — | — | EP | disclosed |
| EP-2398809-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | Merck Canada Inc. (CA) | 2011-12-28 | — | — | EP | disclosed |
| WO-2011047481-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2011-04-28 | — | — | WO | disclosed |
| WO-2011011872-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2011-02-03 | — | — | WO | disclosed |
| WO-2010094120-A1 | NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE | MERCK FROSST CANADA LTD. (CA) | 2010-08-26 | — | — | WO | disclosed |