Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ACSS2 | Q9NR19 | 3/20 | 0.35 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL8696180 | 1.00 | CYP3A4 (0.42) | CYP3A4LMNACYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL9251584 | 0.83 | CYP3A4 (0.41) | CYP3A4LMNACYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL15310123 | 0.83 | DGAT1 (0.38) | CYP3A4LMNACYP2C9CYP2C19KIF11 | |
| SCHEMBL28762821 | 0.83 | CYP3A4 (0.41) | CYP3A4LMNACYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL28746008 | 0.82 | PRKAB2 (0.40) | CYP3A4LMNACYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL3606450 | 0.81 | KCNN4 (0.42) | CYP3A4LMNACYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL3606446 | 0.81 | KCNN4 (0.42) | CYP3A4LMNACYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL31294741 | 0.80 | KCNN4 (0.46) | CYP3A4LMNACYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL31294617 | 0.80 | KCNN4 (0.46) | CYP3A4LMNACYP2C9CYP2C19HSP90AA1 | |
| SCHEMBL7806849 | 0.80 | CYP3A4 (0.51) | CYP3A4LMNACYP2C9CYP2C19HSP90AA1 |
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-5840553-A | OPTICALLY ACTIVE 2-ARYL-3-ACYLOXY-1,2,-PROPANE DIOL USING A MICROORGANISM OR ENZYME DERIVED FROM PORCINE PANCREAS; VIA STEREOSPECIFIC HYDROLYSIS OF A 2-ARYL-1,3-DIACYLOXY-2-PROPANOL; SYNTHETIC CHEMICAL INTERMEDIATES, FUNGICIDES | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1998-11-24 | — | — | US | disclosed |