Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PRKCI | P41743 | 2/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | QPCT | Q16769 | 4/20 | 0.38 |
| ▸ | QPCTL | Q9NXS2 | 3/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | PSMD11 | O00231 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23122864 | 0.80 | QPCT (0.45) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL6008269 | 0.76 | MAPT (0.50) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL31143361 | 0.76 | MAPT (0.50) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL27201388 | 0.74 | KDM4E (0.40) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL30834093 | 0.74 | KDM4E (0.40) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL2810219 | 0.72 | QPCT (0.41) | KDM4EMAPTALDH1A1APEX1RECQL | |
| Hydrochloric Acid SCHEMBL2840581 | 0.71 | QPCT (0.40) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL7021134 | 0.70 | QPCT (0.49) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL2474515 | 0.70 | QPCT (0.60) | KDM4EMAPTALDH1A1APEX1RECQL | |
| SCHEMBL12443811 | 0.69 | MEN1 (0.48) | KDM4EMAPTALDH1A1TDP1IRAK4 |
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-1685124-A1 | SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005047279-A1 | SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | WO | disclosed |