Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 4/20 | 0.38 |
| ▸ | TOP2A | P11388 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 2/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4548008 | 0.80 | GRM5 (0.45) | MAPTALDH1A1LMNAPOLBPTGES | |
| SCHEMBL4548007 | 0.79 | NPC1 (0.45) | MAPTALDH1A1RAB9ANPC1KMT2A | |
| SCHEMBL4548010 | 0.73 | JAK2 (0.41) | HTR3AKCNH2ALDH1A1PTGESRAB9A | |
| SCHEMBL4548004 | 0.72 | GRM5 (0.45) | MAPTALDH1A1LMNAPOLBPTGES | |
| SCHEMBL4548009 | 0.71 | WDR5 (0.40) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL4548003 | 0.71 | GAA (0.47) | MAPTALDH1A1RAB9ANPC1KMT2A | |
| SCHEMBL442097 | 0.70 | TOP2A (0.52) | TOP2AALDH1A1KDM4EHPGD | |
| SCHEMBL1937623 | 0.68 | TOP2A (0.68) | HTR3ATOP2AKCNH2CYP3A4MAPT | |
| SCHEMBL4547998 | 0.68 | GRM5 (0.48) | TOP2AMAPTALDH1A1POLBPTGES | |
| SCHEMBL1936924 | 0.66 | CYP1A2 (0.50) | MAPTALDH1A1POLBRAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010019606-A1 | BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-02-18 | — | — | WO | disclosed |