Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7229393 | 0.76 | KMT2A (0.47) | CA1CA2CA7CA9CA12 | |
| SCHEMBL7288711 | 0.75 | TPMT (0.36) | ALDH1A1POLBMAPK1KDM4E | |
| SCHEMBL9332232 | 0.72 | THRB (0.56) | ALDH1A1MEN1KMT2APOLBMAPK1 | |
| SCHEMBL9438011 | 0.71 | ITGB3 (0.35) | THRB | |
| SCHEMBL7937662 | 0.71 | PCNA (0.47) | LTA4HPOLBTHRBAPP | |
| Formic Acid Methyl Ester SCHEMBL28279052 | 0.71 | ALDH1A1 (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL5146420 | 0.71 | ALDH1A1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6535223 | 0.71 | PCNA (0.49) | POLBTHRB | |
| SCHEMBL14484752 | 0.70 | THRA (0.68) | POLBMAPK1KDM4ETHRB | |
| SCHEMBL4428790 | 0.70 | THRB (0.52) | ALDH1A1MEN1KMT2APOLBMAPK1 |
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-5922775-A | ADMINISTERING A COMPOUND ABLE TO INHIBIT THE INITIAL VELOCITY OF MICROTUBULE PROTEIN ASSEMBLY IN VITRO; SUCH AS 1-(3,5-DIIODO-4-(4'-METHOXYPHENOXY)-PHENYL)-ETHANONE (DIPE) | OCTAMER, INC. (US) | 1999-07-13 | — | — | US | claimed |
| US-5922775-A | ADMINISTERING A COMPOUND ABLE TO INHIBIT THE INITIAL VELOCITY OF MICROTUBULE PROTEIN ASSEMBLY IN VITRO; SUCH AS 1-(3,5-DIIODO-4-(4'-METHOXYPHENOXY)-PHENYL)-ETHANONE (DIPE) | OCTAMER, INC. (US) | 1999-07-13 | — | — | US | disclosed |