Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | GUSB | P08236 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL4629095 | 0.84 | PIM1 (0.40) | KDM4ETDP1GUSBHPGDACHE | |
| SCHEMBL8952892 | 0.82 | ALDH1A1 (0.47) | PIN1KDM4ETDP1HPGDALDH1A1 | |
| SCHEMBL7706759 | 0.81 | DYRK1A (0.51) | PIN1KDM4ECA12CA9GUSB | |
| SCHEMBL6961429 | 0.81 | PIN1 (0.41) | PIN1KDM4ETDP1HPGDKMT2A | |
| SCHEMBL30310472 | 0.81 | DYRK1A (0.51) | PIN1KDM4ECA12CA9GUSB | |
| SCHEMBL6988205 | 0.81 | DYRK1A (0.42) | PIN1CA12CA9ALDH1A1MAPT | |
| SCHEMBL1144716 | 0.81 | PIN1 (0.49) | PIN1KDM4EHPGDKMT2AALDH1A1 | |
| SCHEMBL11047670 | 0.81 | PIN1 (0.41) | PIN1KDM4ETDP1HPGDALDH1A1 | |
| SCHEMBL11195012 | 0.78 | PARP1 (0.43) | KDM4ETDP1GUSBHPGDKMT2A | |
| SCHEMBL31569165 | 0.78 | PIN1 (0.40) | PIN1KDM4ETDP1ALDH1A1MAPT |
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-2499114-A1 | COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | Universita Di Pisa (IT) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011054525-A1 | COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | UNIVERSITA' DI PISA (IT) | 2011-05-12 | — | — | WO | disclosed |