Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11534274 | 0.88 | CYP19A1 (0.51) | CYP19A1ALDH1A1LMNAKDM4EHSD17B10 | |
| SCHEMBL21606911 | 0.77 | HSD11B1 (0.65) | CYP19A1ALDH1A1LMNAKDM4EHSD17B10 | |
| Ethyl 3-Phenylpropanoate SCHEMBL304816 | 0.73 | TDP1 (0.75) | ALDH1A1ALOX5SMN1; SMN2CYP4F2CYP4A11 | |
| SCHEMBL5119177 | 0.73 | ALDH1A1 (0.49) | CYP19A1ALDH1A1LMNAALOX5MAPK1 | |
| Ethyl 3-Phenylpropanoate SCHEMBL7440447 | 0.72 | TDP1 (0.72) | ALDH1A1ALOX5SMN1; SMN2CYP4F2CYP4A11 | |
| SCHEMBL15936869 | 0.70 | CYP19A1 (0.63) | CYP19A1ALDH1A1LMNAMAPK1SMN1; SMN2 | |
| SCHEMBL15936871 | 0.70 | CYP19A1 (0.74) | CYP19A1ALDH1A1LMNAMAPK1SMN1; SMN2 | |
| SCHEMBL8531345 | 0.70 | POLB (0.47) | CYP19A1ALDH1A1LMNAKDM4EMAPK1 | |
| SCHEMBL11525975 | 0.70 | GAA (0.50) | ALDH1A1KDM4ESMN1; SMN2POLBCYP1A2 | |
| Ethyl 3-Phenylpropanoate SCHEMBL3322728 | 0.70 | CYP4F2 (0.70) | ALDH1A1ALOX5CYP4F2CYP4A11MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4142046-A | BACTERICIDES, 7-AMINO-CEPHALOSPORINS | SMITHKLINE CORPORATION (US) | 1979-02-27 | — | — | US | disclosed |
| US-4060610-A | Pharmaceutical compositions comprising 7-acyl-3-(substituted triazolyl thiomethyl)-cephalosporins and methods of treating bacterial infections | SMITHKLINE CORPORATION (US) | 1977-11-29 | — | — | US | disclosed |
| US-3989694-A | ANTIBACTERIAL | SMITHKLINE CORPORATION (US) | 1976-11-02 | — | — | US | disclosed |