Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.47 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11341913 | 0.98 | NPC1 (0.50) | NPC1RAB9ACYP1A2ALPIPKM | |
| SCHEMBL11341907 | 0.86 | NPC1 (0.50) | NPC1RAB9ACYP1A2ALPIPKM | |
| SCHEMBL14861038 | 0.82 | NPC1 (0.50) | NPC1RAB9ACYP1A2CTRB1ALDH1A1 | |
| SCHEMBL17330404 | 0.81 | PNMT (0.47) | NPC1RAB9AALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL3533337 | 0.80 | CPA1 (0.47) | NPC1RAB9ACYP1A2CTRB1 | |
| SCHEMBL29017864 | 0.79 | CTRB1 (0.64) | CTRB1ALDH1A1 | |
| SCHEMBL6154048 | 0.78 | L3MBTL1 (0.48) | NPC1RAB9ACYP1A2L3MBTL1MME | |
| SCHEMBL6154220 | 0.78 | L3MBTL1 (0.48) | NPC1RAB9ACYP1A2L3MBTL1MME | |
| SCHEMBL6154054 | 0.78 | L3MBTL1 (0.48) | NPC1RAB9ACYP1A2L3MBTL1MME | |
| SCHEMBL3396948 | 0.78 | NPC1 (0.53) | NPC1RAB9ACYP1A2ALPIPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2515903-A1 | COMPOUNDS, PREPARATIONS AND USES THEREOF | Peter MacCallum Cancer Institute (AU) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011075784-A1 | COMPOUNDS, PREPARATIONS AND USES THEREOF | PETER MACCALLUM CANCER INSTITUTE (AU) | 2011-06-30 | — | — | WO | disclosed |