Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 6/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 6/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 6/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | EBP | Q15125 | 1/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29401646 | 0.91 | NPC1 (0.57) | POLBNPC1RAB9ASIGMAR1GRIN2D | |
| SCHEMBL467514 | 0.91 | NPC1 (0.57) | POLBNPC1RAB9ASIGMAR1GRIN2D | |
| Hydrochloric Acid SCHEMBL31307094 | 0.89 | NPC1 (0.55) | POLBNPC1RAB9ASIGMAR1GRIN2D | |
| Hydrochloric Acid SCHEMBL11234820 | 0.89 | NPC1 (0.55) | POLBNPC1RAB9ASIGMAR1GRIN2D | |
| SCHEMBL29282541 | 0.82 | NPC1 (0.53) | POLBNPC1RAB9ASIGMAR1GRIN2D | |
| SCHEMBL1999856 | 0.81 | HDAC3 (0.52) | NPC1RAB9ASIGMAR1GRIN2DGRIN3B | |
| O-Tolylamine SCHEMBL10615202 | 0.80 | CYP3A4 (0.71) | CYP3A4TDP1SIGMAR1GRIN2DGRIN3B | |
| Nitric Acid SCHEMBL1587383 | 0.79 | GRIN2D (0.52) | POLBNPC1RAB9ASIGMAR1GRIN2D | |
| Nitric Acid SCHEMBL1587379 | 0.79 | GRIN2D (0.52) | POLBNPC1RAB9ASIGMAR1GRIN2D | |
| SCHEMBL38790 | 0.76 | POLB (0.54) | POLBNPC1RAB9ASIGMAR1GRIN2D |
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-1140083-A4 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2004-01-02 | — | — | EP | disclosed |
| EP-1140083-A1 | NOVEL COMPOUNDS | SmithKline Beecham Corporation (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040243-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-07-13 | — | — | WO | disclosed |