Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CCL2 | P13500 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 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 | |
|---|---|---|---|---|
| SCHEMBL7334568 | 0.77 | HTR2A (0.47) | CYP2D6HTR2ABRD4CCL2KDM4E | |
| SCHEMBL6512485 | 0.77 | BRD4 (0.55) | CYP2D6HTR2ABRD4CCL2KDM4E | |
| SCHEMBL7074288 | 0.77 | CYP2D6 (0.51) | CYP2D6HTR2ABRD4CCL2KDM4E | |
| SCHEMBL12573963 | 0.77 | BRD4 (0.55) | CYP2D6HTR2ABRD4CCL2KDM4E | |
| SCHEMBL27285402 | 0.76 | BRD4 (0.53) | CYP2D6HTR2ABRD4CCL2KDM4E | |
| SCHEMBL28710347 | 0.76 | HTR2A (0.45) | CYP2D6HTR2ABRD4CCL2KDM4E | |
| SCHEMBL10481614 | 0.76 | CYP2D6 (0.42) | CYP2D6HTR2ABRD4CCL2KDM4E | |
| SCHEMBL29450602 | 0.76 | HTR2A (0.45) | CYP2D6HTR2ABRD4CCL2KDM4E | |
| SCHEMBL5823531 | 0.74 | CYP2D6 (0.41) | CYP2D6HTR2ABRD4CCL2KDM4E | |
| SCHEMBL3983556 | 0.74 | CYP2D6 (0.41) | CYP2D6HTR2ABRD4CCL2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5912373-A | Process for converting the achiral meso form of an ansa-metallocene complex into the chiral racemic form | BASF AKTIENGESELLSCHAFT (DE) | 1999-06-15 | — | — | US | disclosed |
| US-5840950-A | Process for converting the achiral meso form or the racemate of an ansa-metallocene complex or mixtures thereof into one of its enantiomers | BASF AKTIENGESELLSCHAFT (DE) | 1998-11-24 | — | — | US | disclosed |