Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4443140 | 0.89 | KDM4E (0.41) | CCR1METIDO1TDO2HPGD | |
| SCHEMBL4443105 | 0.88 | KDM4E (0.40) | CCR1METIDO1TDO2HPGD | |
| SCHEMBL2966669 | 0.85 | RET (0.44) | ALDH1A1LMNAMAPT | |
| SCHEMBL27764701 | 0.81 | ADRA2B (0.37) | CCR1METADRA2BALDH1A1SMN1; SMN2 | |
| SCHEMBL4435035 | 0.76 | IDO1 (0.41) | IDO1TDO2HPGDALDH1A1LMNA | |
| SCHEMBL2958371 | 0.76 | CKS1B (0.55) | METALDH1A1MAPT | |
| Tert-Butyl Formate SCHEMBL27764702 | 0.73 | ADRA2B (0.38) | ADRA2B | |
| SCHEMBL27786505 | 0.72 | CSNK1D (0.40) | METHPGDALDH1A1LMNATP53 | |
| SCHEMBL4438731 | 0.70 | ALDH1A1 (0.44) | HPGDALDH1A1LMNATP53KDM4E | |
| SCHEMBL2954143 | 0.70 | MAPK14 (0.60) | ALDH1A1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121630-A1 | FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS | Janssen Pharmaceutica, N.V. (BE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008098892-A1 | FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-08-21 | — | — | WO | disclosed |