Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | F3 | P13726 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.54 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | XDH | P47989 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6749768 | 1.00 | CYP3A4 (0.60) | CYP3A4CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL2234650 | 0.86 | CYP1A2 (0.61) | CYP3A4CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL2234643 | 0.86 | CYP1A2 (0.61) | CYP3A4CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL28230744 | 0.85 | CYP1A2 (0.60) | CYP3A4CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL13895214 | 0.83 | CYP1A2 (0.62) | CYP3A4CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL8843947 | 0.81 | CYP1A2 (0.69) | CYP3A4CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL934675 | 0.80 | CYP1A2 (0.55) | CYP3A4CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL934677 | 0.80 | CYP1A2 (0.55) | CYP3A4CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL17203947 | 0.80 | CYP1A2 (0.55) | CYP3A4CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL15563734 | 0.80 | MAOB (0.60) | CYP3A4CYP1A2CYP2C19MAPTALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6713503-B1 | 1-(2,4-DIMETHYL-PHENYL)-2,4-DIHYDROXY-3-(4-METHYL-BENZOYL)-5-OXO-2,5 -DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER | UNIVERSITY OF CENTRAL FLORIDA | 2004-03-30 | — | — | US | disclosed |
| US-6703426-B1 | 4-(4-CHLORO-PHENYL)-2,4-DIOXO-3- (PHENYL-HYDRAZONO)-BUTYRIC ACID ETHYL ESTER IS ADMINISTERED | UNIVERSITY OF CENTRAL FLORIDA | 2004-03-09 | — | — | US | disclosed |
| US-6638975-B1 | Treatment of breast cancer | UNIVERSITY OF CENTRAL FLORIDA | 2003-10-28 | — | — | US | disclosed |
| US-6602907-B1 | Treatment of breast cancer | UNIVERSITY OF CENTRAL FLORIDA | 2003-08-05 | — | — | US | disclosed |