Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.76 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8610701 | 0.99 | CYP17A1 (0.74) | CYP17A1HMOX1CYP19A1TBXAS1KMT2A | |
| SCHEMBL8607698 | 0.91 | CYP17A1 (0.71) | CYP17A1HMOX1CYP19A1 | |
| SCHEMBL8607720 | 0.86 | CYP17A1 (1.00) | CYP17A1CYP19A1TBXAS1TSHRNPC1 | |
| SCHEMBL11005510 | 0.78 | CYP17A1 (0.59) | CYP17A1TBXAS1KMT2ANPC1RAB9A | |
| SCHEMBL11000135 | 0.77 | CYP17A1 (0.58) | CYP17A1CYP19A1TBXAS1 | |
| Hydrochloric Acid SCHEMBL10969797 | 0.77 | CYP17A1 (0.58) | CYP17A1TBXAS1KMT2ANPC1RAB9A | |
| SCHEMBL4816440 | 0.76 | TBXAS1 (0.48) | CYP17A1HMOX1CYP19A1TBXAS1KMT2A | |
| SCHEMBL8612399 | 0.76 | CYP17A1 (0.51) | CYP17A1CYP19A1KMT2ATSHRNPC1 | |
| SCHEMBL7195015 | 0.76 | GPR84 (0.60) | CYP17A1TSHRNPC1TP53MAPK1 | |
| SCHEMBL11007152 | 0.75 | CYP19A1 (0.72) | HMOX1CYP19A1TBXAS1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5807880-A | ANTICANCER AGENTS; DISEASES OF PROSTATE GLAND, MAMMARY GLANDS; ENDOMETRIOSIS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-09-15 | — | — | US | disclosed |