Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 3/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.37 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7817359 | 0.84 | KDM4E (0.45) | ALDH1A1GRM5TGFBR1GAAMRGPRX4 | |
| SCHEMBL7812042 | 0.77 | TGFBR1 (0.47) | CA1CA2ALDH1A1TP53TSHR | |
| SCHEMBL7804698 | 0.77 | TGFBR1 (0.47) | CA1CA2ALDH1A1TP53TSHR | |
| SCHEMBL30396748 | 0.75 | ALDH1A1 (0.65) | CA1CA2ALDH1A1TP53TSHR | |
| SCHEMBL283203 | 0.75 | ALDH1A1 (0.65) | CA1CA2ALDH1A1TP53TSHR | |
| SCHEMBL7816890 | 0.73 | CA1 (0.43) | CA1CA2ALDH1A1TP53XDH | |
| SCHEMBL28072667 | 0.73 | ALDH1A1 (0.50) | CA1CA2ALDH1A1TP53TSHR | |
| SCHEMBL15241144 | 0.71 | KMO (0.48) | CA1CA2ALDH1A1TP53GRM5 | |
| SCHEMBL9435361 | 0.71 | TGFBR1 (0.48) | ALDH1A1TGFBR1 | |
| SCHEMBL28297856 | 0.71 | KDM4E (0.41) | CA1CA2ALDH1A1XDHSLC22A12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0750619-B1 | HETERO-ANNULATED INDAZOLES | NOVUSPHARMA SPA (IT) | 2001-05-30 | — | — | EP | disclosed |
| US-5596097-A | ANTITUMOR AGENTS | THE UNIVERSITY OF VERMONT (US) | 1997-01-21 | — | — | US | disclosed |
| EP-0750619-A1 | HETERO-ANNULATED INDAZOLES | BOEHRINGER MANNHEIM ITALIA S.p.A. (IT) | 1997-01-02 | — | — | EP | disclosed |
| WO-1995024407-A1 | HETERO-ANNULATED INDAZOLES | BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) | 1995-09-14 | — | — | WO | disclosed |