Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2905398 | 0.86 | PKM (0.59) | PKMHTTTDP1MCL1GRIN2D | |
| SCHEMBL9687963 | 0.77 | PKM (0.47) | PKMHTTPOLBALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL9688513 | 0.75 | POLB (0.39) | POLBKDM4ETUBB4ATUBBTUBA3C | |
| SCHEMBL9531415 | 0.74 | ALDH1A1 (0.46) | HTTTDP1POLBKDM4EL3MBTL1 | |
| SCHEMBL9687879 | 0.73 | PTGS2 (0.50) | PKMHTTTDP1PTGS2TUBB4A | |
| SCHEMBL9348700 | 0.71 | PKM (0.65) | PKMHTTTDP1MCL1GRIN2D | |
| SCHEMBL622685 | 0.70 | TDP1 (0.57) | PKMHTTTDP1MCL1POLB | |
| SCHEMBL16052765 | 0.70 | HTT (0.50) | PKMHTTTDP1MCL1GRIN2D | |
| SCHEMBL18246981 | 0.69 | TDP1 (0.49) | HTTTDP1POLBKDM4ECTDSP1 | |
| SCHEMBL16689316 | 0.68 | ALDH1A1 (0.54) | PKMHTTTDP1MCL1GRIN2D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0201575-B1 | NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1992-08-12 | — | — | EP | disclosed |
| US-4686230-A | Picoline derivative useful as gastric acid secretion inhibitors | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1987-08-11 | — | — | US | disclosed |
| US-4675397-A | MICROBIOCIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-06-23 | — | — | US | disclosed |
| US-4665067-A | BACTERICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-05-12 | — | — | US | disclosed |