Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9668310 | 0.83 | NQO2 (0.58) | NQO2POLBCA12CA1CA2 | |
| SCHEMBL8557614 | 0.77 | PTGES2 (0.37) | NQO2CA12CA1CA2CA14 | |
| SCHEMBL4446851 | 0.77 | CTSB (0.40) | POLBCA12CA2CA9HTT | |
| SCHEMBL3295201 | 0.76 | NQO2 (0.61) | NQO2POLBCA12CA1CA2 | |
| SCHEMBL5725032 | 0.76 | NQO2 (0.61) | NQO2POLBCA12CA1CA2 | |
| SCHEMBL6749239 | 0.75 | ALDH1A1 (0.46) | NQO2CA12CA1CA2CA14 | |
| SCHEMBL11254980 | 0.74 | ALDH1A1 (0.38) | CA12CA1CA2CA14CA5A | |
| SCHEMBL11803754 | 0.74 | MTNR1A (0.55) | NQO2CA12CA1CA2CA9 | |
| SCHEMBL29800774 | 0.74 | CTSB (0.52) | POLBMAPTHSD17B10ALDH1A1MEN1 | |
| SCHEMBL1073769 | 0.74 | CTSB (0.52) | POLBMAPTHSD17B10ALDH1A1MEN1 |
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-5767283-A | CHEMICAL INTERMEDIATE FOR 7-N-ORGANOSULFONYL-1H-INDOLE DERIVATIVE ANTITUMOR AGENTS; NONTOXIC | EISAI CO., LTD. (JP) | 1998-06-16 | — | — | US | disclosed |
| US-5721246-A | ANTITUMOR AGENTS; LOW TOXICITY | EISAI CO., LTD. (JP) | 1998-02-24 | — | — | US | disclosed |