Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4622950 | 0.93 | ALDH1A1 (0.36) | ALDH1A1CYP2A6SLC6A4CA12CA1 | |
| SCHEMBL3996671 | 0.92 | SLC6A4 (0.35) | CYP1A2CYP2C19ALDH1A1CYP2A6SLC6A4 | |
| SCHEMBL7039658 | 0.87 | ALDH1A1 (0.36) | ALDH1A1CYP2A6SLC6A4DRD2CA12 | |
| SCHEMBL1454085 | 0.86 | SLC6A2 (0.33) | ALDH1A1CYP2A6SLC6A4DRD2CA12 | |
| SCHEMBL1451820 | 0.85 | CA12 (0.33) | ALDH1A1CYP2A6SLC6A4CA12CA1 | |
| SCHEMBL8678964 | 0.84 | ALDH1A1 (0.34) | ALDH1A1CYP2A6SLC6A4DRD2CA12 | |
| SCHEMBL1241803 | 0.83 | ALDH1A1 (0.33) | ALDH1A1CYP2A6SLC6A4DRD2CA12 | |
| SCHEMBL4286443 | 0.82 | ALDH1A1 (0.33) | ALDH1A1CYP2A6SLC6A4CA12CA1 | |
| SCHEMBL7150481 | 0.81 | ALDH1A1 (0.32) | ALDH1A1CYP2A6SLC6A4CA12CA1 | |
| SCHEMBL17952999 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CYP2A6SLC6A4DRD2CA12 |
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-1133504-A1 | METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES | Basell Polypropylen GmbH (DE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000031091-A1 | METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES | BASELL POLYPROPYLEN GMBH (DE) | 2000-06-02 | — | — | WO | disclosed |