Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14198706 | 0.86 | MAOA (0.50) | CES1HPGDMAOASLC6A2LMNA | |
| SCHEMBL11873939 | 0.84 | HSD17B3 (0.39) | CES1L3MBTL1TDP1HPGDMAOB | |
| SCHEMBL11882166 | 0.84 | HSD17B3 (0.39) | CES1L3MBTL1TDP1HPGDMAOB | |
| SCHEMBL8977081 | 0.79 | L3MBTL1 (0.48) | CES1SETD7L3MBTL1TDP1HPGD | |
| SCHEMBL18810756 | 0.79 | L3MBTL1 (0.48) | CES1SETD7L3MBTL1TDP1HPGD | |
| SCHEMBL10292917 | 0.76 | KMT2A (0.52) | CES1L3MBTL1TDP1MAOALMNA | |
| SCHEMBL7945985 | 0.76 | KMT2A (0.61) | CES1SETD7L3MBTL1HPGDCYP2A6 | |
| Dihydrophenanthrene SCHEMBL29404495 | 0.76 | CES1 (0.68) | CES1SETD7L3MBTL1TDP1HPGD | |
| Dihydrophenanthrene SCHEMBL30297028 | 0.76 | CES1 (0.68) | CES1SETD7L3MBTL1TDP1HPGD | |
| Dihydrophenanthrene SCHEMBL155991 | 0.76 | CES1 (0.68) | CES1SETD7L3MBTL1TDP1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3954865-A | ANTI-PARKINSON'S DISEASE, PLASTICIZERS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-05-04 | — | — | US | disclosed |