Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10853381 | 0.78 | CTDSP1 (0.44) | SMN1; SMN2MEN1KMT2AHPGDTSHR | |
| SCHEMBL5033374 | 0.76 | CTDSP1 (0.50) | SMN1; SMN2MEN1KMT2AHPGDTSHR | |
| SCHEMBL4193440 | 0.76 | CA12 (0.47) | SMN1; SMN2HPGDTSHRCA12CA1 | |
| SCHEMBL4246502 | 0.75 | CA12 (0.46) | SMN1; SMN2HPGDCA12CA1CA7 | |
| SCHEMBL29140328 | 0.72 | NPC1 (0.42) | SMN1; SMN2MEN1KMT2ARAB9APOLB | |
| SCHEMBL13430486 | 0.71 | OPRM1 (0.44) | SMN1; SMN2HPGDCA12CA1CA7 | |
| SCHEMBL216618 | 0.70 | NPC1 (0.41) | SMN1; SMN2MEN1KMT2ATSHRRAB9A | |
| SCHEMBL10795492 | 0.70 | SMN1; SMN2 (0.37) | SMN1; SMN2MEN1KMT2AHPGDTSHR | |
| SCHEMBL3838871 | 0.70 | CA12 (0.63) | SMN1; SMN2MEN1KMT2ACA12CA1 | |
| SCHEMBL4246507 | 0.69 | AKT1 (0.53) | CA12CA1CA7CA14ATM |
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-1465896-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-01-11 | — | — | EP | disclosed |
| EP-1465896-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003050122-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-06-19 | — | — | WO | disclosed |