Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.83 |
| ▸ | CA12 | O43570 | 2/20 | 0.71 |
| ▸ | CA1 | P00915 | 2/20 | 0.71 |
| ▸ | CA2 | P00918 | 2/20 | 0.71 |
| ▸ | CA9 | Q16790 | 2/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.67 |
| ▸ | USP2 | O75604 | 1/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.63 |
| ▸ | HTT | P42858 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | GAA | P10253 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL16026460 | 0.88 | CA12 (0.71) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL632109 | 0.86 | CA12 (0.69) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL3075709 | 0.86 | AKR1C3 (0.88) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL1422671 | 0.85 | CA12 (0.67) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL16595411 | 0.85 | CA12 (0.67) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL12332491 | 0.85 | SMN1; SMN2 (0.69) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL16221494 | 0.85 | CA12 (0.67) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL10341777 | 0.83 | HSP90AA1 (0.85) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL10373626 | 0.82 | MAPT (0.77) | AKR1C3CA12CA1CA2CA9 | |
| SCHEMBL378652 | 0.82 | AKR1C3 (0.59) | AKR1C3CA12CA1CA2CA9 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110337293-A | Therapeutic compound | 新泽西鲁特格斯州立大学 | 2019-10-15 | — | — | CN | claimed |
| CN-103313982-A | Phenyl-isoxazole derivatives and process for the preparation thereof | IL YANG PHARM CO LTD | 2013-09-18 | — | — | CN | claimed |
| CN-101573344-A | Antifungal triazole derivatives, method for the preparation thereof and pharmaceutical composition containing same | DAE WOONG PHARMA (KR) | 2009-11-04 | — | — | CN | claimed |
| CN-101255152-A | Preparation method and use of piperazine having cytotoxic activity | WENZHOU MEDICAL COLLEGE (CN) | 2008-09-03 | — | — | CN | claimed |
| CN-110337293-A | Therapeutic compound | 新泽西鲁特格斯州立大学 | 2019-10-15 | — | — | CN | disclosed |
| CN-103313982-A | Phenyl-isoxazole derivatives and process for the preparation thereof | IL YANG PHARM CO LTD | 2013-09-18 | — | — | CN | disclosed |
| CN-101573344-B | Antifungal triazole derivatives, method for the preparation thereof and pharmaceutical composition containing same | DAE WOONG PHARMA | 2013-03-27 | — | — | CN | disclosed |
| CN-101573344-A | Antifungal triazole derivatives, method for the preparation thereof and pharmaceutical composition containing same | DAE WOONG PHARMA (KR) | 2009-11-04 | — | — | CN | disclosed |
| CN-101255152-A | Preparation method and use of piperazine having cytotoxic activity | WENZHOU MEDICAL COLLEGE (CN) | 2008-09-03 | — | — | CN | disclosed |
| CN-1671684-A | New benzodioxoles | HOFFMANN LA ROCHE (CH) | 2005-09-21 | — | — | CN | disclosed |