Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7153126 | 0.86 | CES1 (0.44) | CES1CES2TSHRMEN1KMT2A | |
| SCHEMBL7149425 | 0.83 | CES1 (0.41) | CES1CES2TSHRNFE2L2ALDH1A1 | |
| SCHEMBL20040465 | 0.74 | PDCD1 (0.46) | CES1CES2TSHRMEN1KMT2A | |
| SCHEMBL219676 | 0.71 | LMNA (0.56) | CES1CES2TSHRKMT2AALDH1A1 | |
| SCHEMBL10348186 | 0.71 | PAM (0.42) | CES1CES2TSHRMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL6620902 | 0.70 | LMNA (0.54) | CES1CES2TSHRKMT2AALDH1A1 | |
| SCHEMBL28123902 | 0.70 | LMNA (0.54) | CES1CES2TSHRKMT2AALDH1A1 | |
| SCHEMBL13183413 | 0.69 | TSHR (0.50) | CES1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL4863098 | 0.69 | CES2 (0.50) | CES1CES2TSHRMEN1KMT2A | |
| SCHEMBL566351 | 0.69 | DEGS1 (0.53) | CES1CES2TSHRMEN1KMT2A |
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-1115693-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | Monsanto Company (US) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000018721-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | disclosed |