Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14924055 | 0.88 | THRB (0.56) | BACE1CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL16382582 | 0.86 | BACE1 (0.53) | BACE1CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL10601229 | 0.85 | CYP1A1 (0.59) | BACE1CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL2592362 | 0.85 | CYP1A1 (0.59) | BACE1CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL16093053 | 0.81 | BACE1 (0.48) | BACE1CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL10021677 | 0.79 | FOS (0.61) | CYP1A1CYP1B1CYP1A2CYP2D6ABCG2 | |
| SCHEMBL14924028 | 0.78 | BACE1 (0.45) | BACE1CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL12064219 | 0.77 | ALDH1A1 (0.44) | BACE1CYP1A1CYP1B1HDAC3HDAC1 | |
| SCHEMBL16419899 | 0.76 | PTGS2 (0.68) | CYP1A1CYP1B1CYP1A2MAPTKDM4E | |
| SCHEMBL16307445 | 0.75 | ALOX5 (0.53) | BACE1CYP1A1CYP1B1CYP1A2MAPT |
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-9604931-B2 | Nuclear receptor binding agents | GTX, INC. (US) | 2017-03-28 | — | — | US | disclosed |
| US-20170014401-A1 | NUCLEAR RECEPTOR BINDING AGENTS | GTX, INC. | 2017-01-19 | — | — | US | disclosed |
| US-20130150403-A1 | NUCLEAR RECEPTOR BINDING AGENTS | VA Long Beach Healthcare System (US) | 2013-06-13 | — | — | US | disclosed |
| US-20130116277-A1 | ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS | DALTON JAMES T (US) | 2013-05-09 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170014401-A1 | NUCLEAR RECEPTOR BINDING AGENTS | ESRRB, ESRRG, ESRRA | BACE1 4098/4885CYP1A1 3194/4885CYP1B1 2781/4885 |
| US-20130150403-A1 | NUCLEAR RECEPTOR BINDING AGENTS | FABP3, NCOR1, NR3C2 | BACE1 4230/4885CYP1A1 3405/4885CYP1B1 3875/4885 |
| US-20130116277-A1 | ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS | AKR1C3, AKR1C1, AKR1C2 | BACE1 2316/4885CYP1A1 137/4885CYP1B1 193/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.