Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.50 |
| ▸ | HTR2C | P28335 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1777526 | 0.89 | ALDH1A1 (0.51) | HTR2AALKDRD4GRIN2BKDM4E | |
| SCHEMBL7959186 | 0.79 | HTR2A (0.74) | HTR2AHTR2CDRD2GRIN2BKDM4E | |
| SCHEMBL857278 | 0.77 | CCNB2 (0.68) | CNR1CCNB2CDK1CCNB1GSK3A | |
| SCHEMBL30751169 | 0.76 | KDM4E (0.46) | ALKDRD4KDM4EALDH1A1TP53 | |
| SCHEMBL26670144 | 0.76 | KDM4E (0.46) | ALKDRD4KDM4EALDH1A1TP53 | |
| SCHEMBL6672302 | 0.75 | CNR1 (0.49) | CNR1CCNB2CDK1CCNB1GSK3A | |
| SCHEMBL8140328 | 0.75 | HTR6 (0.64) | HTR2AHTR2CDRD2CNR1CCNB2 | |
| SCHEMBL1777136 | 0.74 | CLK1 (0.49) | CNR1CCNB2CDK1CCNB1GSK3A | |
| SCHEMBL1778446 | 0.74 | HTR6 (0.49) | HTR2AHTR2CDRD2CNR1CCNB2 | |
| SCHEMBL1779054 | 0.74 | CCNB2 (0.48) | HTR2AHTR2CDRD2CNR1CCNB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1324985-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2004-10-06 | — | — | EP | disclosed |
| EP-1324985-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2003-07-09 | — | — | EP | disclosed |
| WO-2002028831-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2002-04-11 | — | — | WO | disclosed |