Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL728021 | 1.00 | ABCG2 (0.51) | ABCG2TSHRAKR1C1CES2CES1 | |
| SCHEMBL9207327 | 0.85 | ALDH1A1 (0.45) | ABCG2CES2CES1MEN1KMT2A | |
| SCHEMBL83065 | 0.84 | AKR1C3 (0.55) | ABCG2TSHRAKR1C1MEN1KMT2A | |
| SCHEMBL3818255 | 0.84 | AKR1C3 (0.55) | ABCG2TSHRAKR1C1MEN1KMT2A | |
| SCHEMBL3485765 | 0.84 | AKR1C3 (0.55) | ABCG2TSHRAKR1C1MEN1KMT2A | |
| SCHEMBL9103420 | 0.84 | ABCG2 (0.54) | ABCG2TSHRAKR1C1MTNR1AMTNR1B | |
| SCHEMBL5047540 | 0.82 | RECQL (0.55) | ABCG2TSHRMTNR1AMTNR1BMEN1 | |
| Hydrochloric Acid SCHEMBL10437231 | 0.82 | AKR1C3 (0.53) | ABCG2TSHRAKR1C1MEN1KMT2A | |
| SCHEMBL1397476 | 0.82 | ABCG2 (0.53) | ABCG2TSHRMEN1KMT2AMAPT | |
| SCHEMBL8351839 | 0.82 | AKR1C3 (0.53) | ABCG2TSHRAKR1C1MEN1KMT2A |
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-20050065213-A1 | Combretastatin a-4 derivatives having antineoplastic activity | LAWRENCE NICHOLAS JAMES (GB) | 2005-03-24 | — | — | US | disclosed |
| US-4014896-A | Catalytic dehydrogenation process for the preparation of 3,4,5-trisubstituted pyrazoles | AMERICAN CYANAMID COMPANY (US) | 1977-03-29 | — | — | 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-20050065213-A1 | Combretastatin a-4 derivatives having antineoplastic activity | AURKA, AURKB, HDAC4 | ABCG2 33/4885TSHR 4276/4885AKR1C1 1226/4885 |
“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.