Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29955854 | 0.84 | CA12 (0.53) | KIF11ALDH1A1DRD1CA12CA1 | |
| SCHEMBL8280034 | 0.84 | ALDH1A1 (0.50) | KIF11ALDH1A1CA12CA1CA2 | |
| SCHEMBL3457040 | 0.82 | KIF11 (0.65) | KIF11ALDH1A1DRD1ERN1PTGS1 | |
| SCHEMBL1099003 | 0.81 | ALDH1A1 (0.62) | KIF11ALDH1A1CA12CA1CA2 | |
| SCHEMBL29924944 | 0.81 | ALDH1A1 (0.62) | KIF11ALDH1A1CA12CA1CA2 | |
| SCHEMBL22459322 | 0.78 | KIF11 (0.61) | KIF11DRD1MEN1KMT2AERN1 | |
| SCHEMBL16037967 | 0.78 | KIF11 (0.59) | KIF11ALDH1A1DRD1ERN1PTGS1 | |
| SCHEMBL30758809 | 0.77 | KIF11 (0.59) | KIF11ALDH1A1CA12CA1CA2 | |
| SCHEMBL3790335 | 0.77 | KIF11 (0.59) | KIF11ALDH1A1CA12CA1CA2 | |
| SCHEMBL3823490 | 0.77 | ALDH1A1 (0.65) | KIF11ALDH1A1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| WO-2012044043-A2 | NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2012-04-05 | — | — | WO | disclosed |