Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.55 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | HTR1D | P28221 | 6/20 | 0.46 |
| ▸ | HTR1B | P28222 | 5/20 | 0.46 |
| ▸ | HTR2A | P28223 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7445617 | 0.92 | PLK1 (0.51) | PLK1MAPK14CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL38666104 | 0.91 | HTR1D (0.52) | PLK1MAPK14CA12CA1CA2 | |
| SCHEMBL7450212 | 0.88 | MAPK14 (0.57) | PLK1MAPK14CA12CA1CA2 | |
| SCHEMBL5843831 | 0.85 | PLK1 (0.67) | PLK1MAPK14CA12CA1CA2 | |
| SCHEMBL22411177 | 0.85 | NPC1 (0.45) | PLK1MAPK14RAB9AHTR1DHTR1B | |
| SCHEMBL8792955 | 0.84 | PLK1 (0.65) | PLK1MAPK14CA12CA1CA2 | |
| SCHEMBL5465792 | 0.82 | PLK1 (0.52) | PLK1MAPK14RAB9ALMNATSHR | |
| SCHEMBL30509227 | 0.82 | RAB9A (0.53) | PLK1MAPK14CA12CA1CA2 | |
| SCHEMBL5316474 | 0.81 | GAA (0.49) | PLK1MAPK14RAB9AMEN1MAPT | |
| SCHEMBL6926831 | 0.81 | PLK1 (0.51) | PLK1MAPK14RAB9ALMNATSHR |
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-2020183011-A1 | HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER | INSTITUT CURIE (FR) | 2020-09-17 | — | — | WO | disclosed |
| EP-0819126-A1 | BIPHENYLAMIDE DERIVATIVES AS 5HT 1D? ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-01-21 | — | — | EP | disclosed |
| EP-0787133-A1 | TRICYCLIC SPIRO COMPOUNDS PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-08-06 | — | — | EP | disclosed |
| WO-1996031508-A1 | BIPHENYLAMIDE DERIVATIVES AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-10-10 | — | — | WO | disclosed |
| EP-0733048-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-09-25 | — | — | EP | disclosed |
| WO-1995015954-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-06-15 | — | — | WO | disclosed |