Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PBK | Q96KB5 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1493888 | 0.83 | PTGS1 (0.59) | TDP1TSHRHSD17B10ALDH1A1CYP3A4 | |
| SCHEMBL30516160 | 0.80 | TDP1 (0.67) | ADRB2TDP1TSHRHSD17B10ALDH1A1 | |
| SCHEMBL278495 | 0.80 | TDP1 (0.67) | ADRB2TDP1TSHRHSD17B10ALDH1A1 | |
| SCHEMBL29453111 | 0.80 | ADRB2 (0.56) | ADRB2TSHRALDH1A1CYP3A4LMNA | |
| SCHEMBL3181409 | 0.80 | ADRB2 (0.56) | ADRB2TSHRALDH1A1CYP3A4LMNA | |
| SCHEMBL14293022 | 0.80 | TDP1 (0.67) | ADRB2TDP1TSHRHSD17B10ALDH1A1 | |
| SCHEMBL5862322 | 0.80 | ADRB2 (0.56) | ADRB2TSHRALDH1A1CYP3A4LMNA | |
| SCHEMBL61975 | 0.80 | ADRB2 (0.56) | ADRB2TSHRALDH1A1CYP3A4LMNA | |
| Hydrochloric Acid SCHEMBL1825918 | 0.78 | KDM4E (0.68) | ADRB2TDP1TSHRHSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3704821 | 0.78 | ADRB2 (0.54) | ADRB2TSHRALDH1A1CYP3A4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9580427-B2 | Kinase inhibitors | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-02-28 | — | — | US | disclosed |
| EP-2702043-A1 | INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE | Exelixis, Inc. (US) | 2014-03-05 | — | — | EP | disclosed |
| WO-2012149528-A1 | INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE | EXELIXIS, INC. (US) | 2012-11-01 | — | — | WO | disclosed |