Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | GABRE | P78334 | 1/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.40 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.40 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.38 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2637433 | 0.82 | CES2 (0.38) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL480491 | 0.79 | AOC3 (0.39) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL485893 | 0.77 | AOC3 (0.38) | CPB2AOC3LOXL2HDAC3NCOR2 | |
| SCHEMBL3464467 | 0.76 | AOC3 (0.41) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL165378 | 0.73 | KCNH2 (0.40) | AOC3RRM2LOXL2HDAC6 | |
| SCHEMBL29505870 | 0.73 | KCNH2 (0.40) | AOC3RRM2LOXL2HDAC6 | |
| SCHEMBL20677823 | 0.73 | ALDH1A1 (0.39) | P4HTMKDM4ESMN1; SMN2HCAR3 | |
| SCHEMBL2637165 | 0.72 | RAB9A (0.44) | KDM4ESMN1; SMN2HCAR3HDAC6 | |
| Hydrochloric Acid SCHEMBL2674519 | 0.72 | KCNH2 (0.39) | AOC3RRM2LOXL2HDAC6 | |
| SCHEMBL2881907 | 0.72 | P4HTM (0.67) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |
| WO-2010109123-A1 | ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2010-09-30 | — | — | WO | disclosed |
| WO-2010109122-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS | SANOFI-AVENTIS (FR) | 2010-09-30 | — | — | WO | disclosed |