Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | GABRP | O00591 | 2/20 | 0.40 |
| ▸ | GABRD | O14764 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.40 |
| ▸ | GABRE | P78334 | 2/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.40 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.40 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18205940 | 0.80 | CA2 (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL27917301 | 0.79 | BID (0.44) | KDM4EMEN1LMNACYP3A4MAPT | |
| SCHEMBL21724890 | 0.79 | DHFR (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL27776349 | 0.78 | GABRP (0.43) | TDP1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL28284489 | 0.75 | GABRP (0.39) | TDP1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL9878422 | 0.75 | TDP1 (0.36) | TDP1NOS2ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL6710510 | 0.75 | GABRP (0.41) | TDP1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL8713669 | 0.75 | NOS2 (0.49) | TDP1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL27927983 | 0.75 | KDM4E (0.49) | ALDH1A1KDM4ECYP3A4SMN1; SMN2HPGD | |
| SCHEMBL7008513 | 0.74 | NOS2 (0.52) | TDP1GABRPGABRDGABRA1GABRB1 |
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-1942890-A4 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORP (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1942890-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2008-07-16 | — | — | EP | disclosed |
| WO-2006138350-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-12-28 | — | — | WO | disclosed |