Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9639800 | 0.75 | SMN1; SMN2 (0.39) | TDP1TSHRPLK1CA2ALDH1A1 | |
| SCHEMBL11175437 | 0.75 | NQO1 (0.58) | NQO1TDP1TSHRPLK1PARP10 | |
| SCHEMBL10951255 | 0.73 | NQO1 (0.70) | NQO1TDP1TSHRPARP10CA12 | |
| SCHEMBL945559 | 0.73 | NQO1 (0.70) | NQO1TDP1TSHRPARP10CA12 | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.72 | NQO1 (1.00) | NQO1TDP1TSHRPLK1PARP10 | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.72 | NQO1 (1.00) | NQO1TDP1TSHRPLK1PARP10 | |
| SCHEMBL24196870 | 0.71 | NQO1 (0.67) | NQO1TDP1TSHRPLK1PARP10 | |
| SCHEMBL6972139 | 0.71 | NQO1 (0.67) | NQO1TDP1TSHRPARP10CA12 | |
| SCHEMBL11560871 | 0.71 | NQO1 (0.67) | NQO1TDP1TSHRPLK1PARP10 | |
| SCHEMBL18883698 | 0.70 | NQO1 (0.64) | NQO1TDP1TSHRPARP10CA12 |
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-5081272-A | PROCESS FOR PREPARATION OF PHOSPHORODICHLOROTHIOATES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-01-14 | — | — | US | disclosed |
| US-4056581-A | Process for the preparation of phosphorodichloridothiolates | ROHM AND HAAS COMPANY (US) | 1977-11-01 | — | — | US | disclosed |