Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 7/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MAN2B1 | O00754 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6612191 | 0.99 | CXCR4 (0.37) | CXCR4DRD2CREBBPSMYD3DDB1 | |
| SCHEMBL5471671 | 0.92 | CA14 (0.40) | CXCR4CREBBPSMYD3 | |
| SCHEMBL6613807 | 0.92 | CXCR4 (0.37) | CXCR4DRD2TDP1TMEM97 | |
| SCHEMBL6612082 | 0.91 | CXCR4 (0.36) | CXCR4DRD2TDP1MAN2B1TMEM97 | |
| SCHEMBL6302745 | 0.88 | TMEM97 (0.31) | SMYD3TMEM97 | |
| SCHEMBL6302937 | 0.87 | TMEM97 (0.31) | TMEM97 | |
| SCHEMBL5188359 | 0.87 | TMEM97 (0.32) | SMYD3TMEM97 | |
| SCHEMBL6281965 | 0.87 | TMEM97 (0.32) | SMYD3TMEM97 | |
| SCHEMBL5188625 | 0.87 | TMEM97 (0.32) | SMYD3TMEM97 | |
| SCHEMBL5189243 | 0.87 | TMEM97 (0.32) | SMYD3TMEM97 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1114037-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES | SCHERING AG (DE) | 2004-05-12 | — | — | EP | disclosed |