Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3777963 | 1.00 | CYP17A1 (0.40) | CYP17A1TDP1ALDH1A1MAPTKIF11 | |
| SCHEMBL13062960 | 1.00 | CYP17A1 (0.40) | CYP17A1TDP1ALDH1A1MAPTKIF11 | |
| SCHEMBL14155353 | 0.92 | CYP17A1 (0.48) | CYP17A1KIF11PSMB8SMN1; SMN2NR1H4 | |
| SCHEMBL10092627 | 0.92 | CYP17A1 (0.48) | CYP17A1KIF11PSMB8SMN1; SMN2NR1H4 | |
| SCHEMBL17902832 | 0.89 | MIF (0.45) | CYP17A1ALDH1A1MAPTPOLBPSMB8 | |
| SCHEMBL17894453 | 0.89 | MIF (0.45) | CYP17A1ALDH1A1MAPTPOLBPSMB8 | |
| SCHEMBL18256797 | 0.89 | MIF (0.45) | CYP17A1ALDH1A1MAPTPOLBPSMB8 | |
| SCHEMBL13293398 | 0.89 | CYP17A1 (0.43) | CYP17A1ALDH1A1PSMB8MAPK14NR1H4 | |
| SCHEMBL12049315 | 0.88 | CYP17A1 (0.40) | CYP17A1PSMB8NR1H4PTPN11 | |
| SCHEMBL29803908 | 0.88 | MAP4K4 (0.40) | CYP17A1TDP1MAPTPOLBPSMB8 |
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-20100331384-A1 | GUANIDINE BASED COMPOUNDS | UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) | 2010-12-30 | — | — | US | disclosed |
| WO-2009080818-A2 | GUANIDINE BASED COMPOUNDS | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2009-07-02 | — | — | WO | 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-20100331384-A1 | GUANIDINE BASED COMPOUNDS | ADRB2, ADRA2A, ADRA2C | CYP17A1 3857/4885TDP1 2186/4885ALDH1A1 870/4885 |
“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.