Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | PRKCI | P41743 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | YES1 | P07947 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1642498 | 0.83 | TSHR (0.63) | CYP3A4TP53TSHRMAOBKDM4E | |
| SCHEMBL1283876 | 0.81 | TSHR (0.64) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL29371541 | 0.79 | CYP3A4 (1.00) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL112380 | 0.79 | CYP3A4 (1.00) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| Hydrochloric Acid SCHEMBL2871122 | 0.77 | CYP3A4 (0.96) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL6002603 | 0.77 | LTA4H (0.49) | BCHEPOLB | |
| SCHEMBL993788 | 0.76 | TSHR (0.77) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL2011661 | 0.75 | CYP3A4 (0.64) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL12156480 | 0.75 | TSHR (0.59) | CYP3A4TP53TSHRMAOBALDH1A1 | |
| SCHEMBL3791936 | 0.74 | CYP3A4 (0.69) | CYP3A4TP53TSHRMAOBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2543376-A1 | Benzotriazine inhibitors of kinases | Targegen, Inc. (US) | 2013-01-09 | — | — | EP | disclosed |