Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA7 | P43166 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9434374 | 0.90 | SMAD3 (0.39) | ESR1GAASMN1; SMN2ALDH1A1HTT | |
| SCHEMBL8909809 | 0.88 | TSHR (0.37) | GAASMN1; SMN2KMT2AHPGDMEN1 | |
| SCHEMBL8911562 | 0.87 | POLB (0.40) | GAACYP3A4HPGDALDH1A1HTT | |
| SCHEMBL8912086 | 0.87 | CYP2C9 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1388815 | 0.86 | MAPT (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8910230 | 0.85 | GABRA1 (0.38) | GAASMN1; SMN2TDP1KMT2AHPGD | |
| SCHEMBL27429806 | 0.85 | MEN1 (0.32) | TDP1KMT2AMEN1HSD17B10 | |
| SCHEMBL8909498 | 0.81 | TSHR (0.37) | GAASMN1; SMN2KMT2AHPGDMEN1 | |
| SCHEMBL8150139 | 0.79 | RAB9A (0.33) | SMN1; SMN2TDP1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL1388445 | 0.79 | CA12 (0.37) | CA12CA1CA2CA7CA9 |
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-5679694-A | LOW TOXICITY AGAINST NORMAL CELL LINES | THE WELLCOME FOUNDATION LTD. (GB) | 1997-10-21 | — | — | US | disclosed |
| WO-1994002483-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |