Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 2/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | UBE2I | P63279 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9980454 | 1.00 | GAA (0.45) | GAAMAPTTDP1MMP8DHODH | |
| SCHEMBL28859967 | 0.88 | DHODH (0.46) | GAAMAPTMMP8DHODHCA12 | |
| SCHEMBL29276298 | 0.87 | MAPT (0.42) | GAAMAPTTDP1DHODHCA12 | |
| SCHEMBL29246721 | 0.86 | CA12 (0.48) | GAAMAPTTDP1CA12CA1 | |
| SCHEMBL24103353 | 0.85 | CA12 (0.47) | GAAMAPTCA12CA1CA2 | |
| SCHEMBL16525557 | 0.85 | CA12 (0.47) | GAAMAPTCA12CA1CA2 | |
| SCHEMBL27481741 | 0.81 | GAA (0.50) | GAAMAPTTDP1MMP8DHODH | |
| SCHEMBL8995845 | 0.81 | CYP2C19 (0.51) | GAAMAPTCA12CA9TSHR | |
| Hydrochloric Acid SCHEMBL10538264 | 0.80 | GAA (0.49) | GAAMAPTTDP1MMP8DHODH | |
| SCHEMBL28418972 | 0.80 | POLB (0.50) | GAAMAPTTDP1MMP8DHODH |
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 |
|---|---|---|---|---|---|---|---|
| EP-1656133-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2008-10-29 | — | — | EP | disclosed |
| EP-1656133-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2006-05-17 | — | — | EP | disclosed |
| WO-2005017190-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2005-02-24 | — | — | WO | disclosed |