Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3544801 | 1.00 | CA1 (0.55) | CA1CA2HTTALDH1A1TBXAS1 | |
| SCHEMBL7066789 | 0.86 | CA1 (0.56) | CA1CA2HTTALDH1A1TBXAS1 | |
| SCHEMBL7066783 | 0.86 | CA1 (0.56) | CA1CA2HTTALDH1A1TBXAS1 | |
| SCHEMBL2405831 | 0.84 | TDP1 (0.44) | ALDH1A1MAPTSMN1; SMN2POLBLMNA | |
| SCHEMBL2405829 | 0.84 | TDP1 (0.44) | ALDH1A1MAPTSMN1; SMN2POLBLMNA | |
| SCHEMBL4906646 | 0.84 | KMT2A (0.49) | CA1CA2ALDH1A1MAPT | |
| SCHEMBL4909047 | 0.84 | KMT2A (0.49) | CA1CA2ALDH1A1MAPT | |
| SCHEMBL1195693 | 0.84 | KMT2A (0.49) | CA1CA2ALDH1A1MAPT | |
| SCHEMBL6820654 | 0.83 | CA1 (0.54) | CA1CA2HTTALDH1A1TBXAS1 | |
| SCHEMBL6820652 | 0.83 | CA1 (0.54) | CA1CA2HTTALDH1A1TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017076998-A1 | NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE | SANOFI (FR) | 2017-05-11 | — | — | WO | disclosed |
| US-7192980-B2 | Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors | NOVARTIS AG (CH) | 2007-03-20 | — | — | US | disclosed |