Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3450751 | 0.87 | S1PR1 (0.39) | S1PR1NPY5RBACE1ALDH1A1KMT2A | |
| SCHEMBL6489159 | 0.79 | HTR3E (0.40) | BACE1KMT2ANPC1RAB9AHTR3E | |
| SCHEMBL6489152 | 0.78 | BACE1 (0.39) | BACE1KMT2ACYP1A2CYP2D6KDM4E | |
| SCHEMBL25171851 | 0.76 | CYP1A2 (0.59) | S1PR1NPY5RBACE1ALDH1A1KMT2A | |
| SCHEMBL22090002 | 0.76 | KMT2A (0.42) | S1PR1NPY5RBACE1ALDH1A1KMT2A | |
| SCHEMBL7762123 | 0.76 | HTT (0.59) | ALDH1A1KMT2ACYP1A2CYP2D6HTT | |
| Hydrochloric Acid SCHEMBL31258765 | 0.75 | CYP1A2 (0.57) | S1PR1NPY5RBACE1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL25167011 | 0.75 | CYP1A2 (0.57) | S1PR1NPY5RBACE1ALDH1A1KMT2A | |
| SCHEMBL15746018 | 0.74 | BACE1 (0.42) | BACE1ALDH1A1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL10041264 | 0.73 | BACE1 (0.35) | BACE1ALDH1A1KMT2ACYP1A2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7312229-B2 | 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators | MERCK & CO., INC. (US) | 2007-12-25 | — | — | US | disclosed |
| US-20070088047-A1 | 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators | MERCK SHARP & DOHME CORP. | 2007-04-19 | — | — | 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 (1 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-20070088047-A1 | 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators | NR5A1, AR, NR3C1 | S1PR1 1081/4885NPY5R 2747/4885BACE1 736/4885 |
“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.