Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | EDNRA | P25101 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31592624 | 0.84 | ALDH1A1 (0.46) | SLC22A12ALDH1A1HSD17B10GAATSHR | |
| SCHEMBL8377905 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HSD17B10GAATSHRL3MBTL1 | |
| Water SCHEMBL17545072 | 0.79 | ALDH1A1 (0.47) | SLC22A12ALDH1A1HSD17B10GAATSHR | |
| SCHEMBL4618655 | 0.78 | LMNA (0.56) | ALDH1A1L3MBTL1CTSSLMNASLC12A2 | |
| SCHEMBL9850210 | 0.77 | CA12 (0.59) | ALDH1A1HSD17B10GAATSHRL3MBTL1 | |
| SCHEMBL23862588 | 0.77 | ALDH1A1 (0.49) | ALDH1A1HSD17B10GAATSHRL3MBTL1 | |
| SCHEMBL2527735 | 0.76 | ATM (0.54) | ALDH1A1HSD17B10GAATSHRL3MBTL1 | |
| SCHEMBL13296442 | 0.75 | CYP3A4 (0.65) | ALDH1A1HSD17B10GAATSHRCCR1 | |
| SCHEMBL20408342 | 0.74 | ALDH1A1 (0.60) | ALDH1A1GAALMNAMEN1KMT2A | |
| SCHEMBL10389233 | 0.74 | ALDH1A1 (0.55) | ALDH1A1TSHRL3MBTL1CTSLCTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9757375-B2 | Compounds that inhibit human DNA ligases and methods of treating cancer | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2017-09-12 | — | — | US | disclosed |