Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.43 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4003650 | 0.91 | ABCG2 (0.57) | ALDH1A1ABCG2NR4A2MTNR1AMTNR1B | |
| SCHEMBL5242703 | 0.88 | ALDH1A1 (0.57) | ALDH1A1ABCG2NR4A2KDM4EHPGD | |
| SCHEMBL7503200 | 0.87 | ALDH1A1 (0.54) | ALDH1A1ABCG2NR4A2MTNR1AMTNR1B | |
| SCHEMBL5243737 | 0.84 | NR4A2 (0.63) | ALDH1A1ABCG2NR4A2MTNR1AMTNR1B | |
| SCHEMBL11392045 | 0.81 | ALDH1A1 (0.59) | ALDH1A1ABCG2KDM4EHPGDHSD17B10 | |
| SCHEMBL5241461 | 0.81 | NR4A2 (0.54) | ALDH1A1ABCG2NR4A2MTNR1AMTNR1B | |
| SCHEMBL29052011 | 0.80 | HTT (0.61) | ALDH1A1ABCG2NR4A2MTNR1AMTNR1B | |
| SCHEMBL4002802 | 0.79 | SERPINE1 (0.47) | ALDH1A1NR4A2SERPINE1KDM4EHPGD | |
| SCHEMBL4406870 | 0.79 | ABCG2 (0.60) | ALDH1A1ABCG2NR4A2MTNR1AMTNR1B | |
| SCHEMBL7522675 | 0.79 | ALDH1A1 (0.44) | ALDH1A1NR4A2SERPINE1SMN1; SMN2RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242409-A2 | SUBSTITUTED BISINDOLYLMALEIMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-09-25 | — | — | EP | disclosed |
| US-6281356-B1 | ANTICANRCER AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-28 | — | — | US | disclosed |
| WO-2001046178-A2 | SUBSTITUIERTE BISINDOLYMALEIMIDE | F. HOFFMANN-LA ROCHE AG (CH) | 2001-06-28 | — | — | WO | disclosed |