Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6249376 | 0.75 | CYP1A2 (0.49) | PAX8TDP1L3MBTL1HPGDCYP1A2 | |
| SCHEMBL29399101 | 0.73 | HSD17B10 (0.44) | PAX8TDP1L3MBTL1HPGDCYP1A2 | |
| SCHEMBL2290546 | 0.73 | HSD17B10 (0.44) | PAX8TDP1L3MBTL1HPGDCYP1A2 | |
| Benzene SCHEMBL1724439 | 0.72 | HSD17B10 (0.42) | PAX8TDP1L3MBTL1HPGDCYP1A2 | |
| SCHEMBL31450268 | 0.72 | HSD17B10 (0.42) | PAX8TDP1L3MBTL1HPGDCYP1A2 | |
| SCHEMBL2968049 | 0.71 | ALDH1A1 (0.38) | HPGDCYP1A2CYP2C19KDM4EHSD17B10 | |
| SCHEMBL3258162 | 0.71 | ALDH1A1 (0.41) | PAX8TDP1L3MBTL1HPGDCYP1A2 | |
| SCHEMBL29563614 | 0.71 | ALDH1A1 (0.41) | PAX8TDP1L3MBTL1HPGDCYP1A2 | |
| SCHEMBL4405538 | 0.71 | ERN1 (0.41) | TDP1CYP1A2KDM4EALDH1A1CYP2A6 | |
| SCHEMBL29181691 | 0.71 | ALDH1A1 (0.49) | PAX8TDP1L3MBTL1HPGDCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0888292-A1 | TRICYCLIC COMPOUNDS HAVING ACTIVITY SPECIFIC FOR INTEGRINS, PARTICULARLY $g(a)v$g(b)3 INTEGRINS, METHOD FOR PREPARING SAME, INTERMEDIATES THEREFOR, USE OF SAID COMPOUNDS AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | HOECHST MARION ROUSSEL (FR) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034865-A1 | TRICYCLIC COMPOUNDS HAVING ACTIVITY SPECIFIC FOR INTEGRINS, PARTICULARLY αvβ3 INTEGRINS, METHOD FOR PREPARING SAME, INTERMEDIATES THEREFOR, USE OF SAID COMPOUNDS AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | HOECHST MARION ROUSSEL (FR) | 1997-09-25 | — | — | WO | disclosed |