Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 3/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL1254820 | 0.90 | CES1 (0.32) | CES1 | |
| SCHEMBL6619063 | 0.78 | KMT2A (0.37) | LMNAPDK1PDK2PDK3PDK4 | |
| SCHEMBL9337908 | 0.72 | ALDH1A1 (0.42) | CES1F2LMNAELANEALDH1A1 | |
| SCHEMBL10601947 | 0.72 | MAPK1 (0.35) | CES1F2LMNAALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL11650571 | 0.68 | CES1 (0.46) | CES1FAAHHDAC6TSHRPTPN1 | |
| Trifluoroacetic Acid SCHEMBL1549 | 0.68 | CES1 (0.46) | CES1FAAHHDAC6TSHRPTPN1 | |
| SCHEMBL1255890 | 0.68 | ELANE (0.47) | CES1HDAC1HDAC2ELANEALDH1A1 | |
| SCHEMBL1472953 | 0.68 | LMNA (0.68) | CES1F2LMNAALDH1A1TSHR | |
| SCHEMBL9509285 | 0.67 | ALDH1A1 (0.36) | CES1ALDH1A1TSHR | |
| SCHEMBL10946374 | 0.67 | ELANE (0.46) | CES1HDAC1HDAC2ELANEALDH1A1 |
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-1053216-A1 | SPIRANS AND THE USE THEREOF | Axiva GmbH (DE) | 2000-11-22 | — | — | EP | disclosed |
| WO-1999040051-A1 | SPIRANS AND THE USE THEREOF | AXIVA GMBH (DE) | 1999-08-12 | — | — | WO | disclosed |
| WO-1992006079-A1 | FUSED RING ANALOGS OF NITROGEN CONTAINING NONAROMATIC HETEROCYCLES | PFIZER INC. (US) | 1992-04-16 | — | — | WO | disclosed |