Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 5/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 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 | |
|---|---|---|---|---|
| SCHEMBL4979017 | 0.85 | HSD17B10 (0.48) | ATMKDM1AALDH1A1HPGDTP53 | |
| SCHEMBL4232444 | 0.83 | ALDH1A1 (0.42) | ATMKDM1AALDH1A1HPGDTP53 | |
| SCHEMBL6405547 | 0.81 | ABCG2 (0.48) | ATMKDM1AALDH1A1HPGDTP53 | |
| SCHEMBL15400423 | 0.79 | ALDH1A1 (0.44) | ATMALDH1A1HPGDTP53CYP3A4 | |
| SCHEMBL4239262 | 0.78 | KDM1A (0.53) | ATMKDM1AALDH1A1HPGDTP53 | |
| SCHEMBL4236618 | 0.78 | ABCG2 (0.46) | ATMKDM1AALDH1A1HPGDTP53 | |
| SCHEMBL23780947 | 0.76 | ALDH1A1 (0.41) | CA1CA2ATMALDH1A1HPGD | |
| SCHEMBL31367625 | 0.76 | CA1 (0.53) | CA1CA2MGLLTRPV1CA4 | |
| SCHEMBL4241058 | 0.76 | KDM1A (0.41) | ATMKDM1AALDH1A1HPGDKDM4E | |
| SCHEMBL2869307 | 0.75 | KDM1A (0.46) | ATMKDM1AALDH1A1HPGDTP53 |
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-2335298-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | Merck Patent GmbH (DE) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010040438-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2010-04-15 | — | — | WO | disclosed |