Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL959018 | 0.86 | TDP1 (0.50) | TDP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL21962098 | 0.84 | MEN1 (0.50) | TDP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL4714065 | 0.84 | TDP1 (0.52) | TDP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL125503 | 0.84 | TDP1 (0.52) | TDP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL3131272 | 0.83 | TDP1 (0.47) | TDP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL18618701 | 0.83 | TDP1 (0.47) | TDP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL3187413 | 0.82 | TDP1 (0.50) | TDP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL523837 | 0.82 | CA2 (0.59) | TDP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL10004845 | 0.82 | TDP1 (0.50) | TDP1MAOAMAOBMEN1KMT2A | |
| SCHEMBL17906 | 0.82 | MEN1 (0.52) | TDP1MAOAMAOBMEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108137567-A | For inhibiting the composition of beta-lactamase and method | 乐高化学生物科学股份有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-104411705-B | Macrocyclic picolinamides as fungicides | 陶氏益农公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-106518856-A | Pyrazine derivatives useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-106496210-A | It is used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-03-15 | — | — | CN | disclosed |
| CN-106496209-A | It is used as the compound of ATR kinase inhibitors | 沃泰克斯药物股份有限公司 | 2017-03-15 | — | — | CN | disclosed |
| CN-1108955-A | The use of compositions for combating tumour diseases | CIBA GEIGY AG (CH) | 1995-09-27 | — | — | CN | disclosed |