Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL8335814 | 0.94 | NPSR1 (0.46) | NPSR1CA12CA1CA2CA9 | |
| SCHEMBL8339328 | 0.93 | SHMT2 (0.55) | NPSR1CA12CA1CA2CA9 | |
| SCHEMBL13984133 | 0.91 | EPHX1 (0.58) | EPHX1ALDH1A1GAATRPV1HPGD | |
| SCHEMBL8342447 | 0.86 | ABCC1 (0.53) | CA12CA1CA2CA9SHMT2 | |
| SCHEMBL8340991 | 0.85 | HDAC3 (0.48) | SHMT2EPHX1ALDH1A1POLBGAA | |
| SCHEMBL8341123 | 0.81 | NAMPT (0.43) | SHMT2EPHX1ALDH1A1POLBGAA | |
| SCHEMBL8342051 | 0.80 | TRPV1 (0.48) | CA12CA1CA2CA9SHMT2 | |
| SCHEMBL8338952 | 0.77 | ALDH1A1 (0.46) | SHMT2EPHX1ALDH1A1POLBGAA | |
| SCHEMBL26607386 | 0.76 | MAPT (0.53) | NPSR1CA12CA1CA2CA9 | |
| SCHEMBL3990479 | 0.76 | HTT (0.49) | ALDH1A1POLBGAATP53TRPV1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719320-A | 1,5-BIS(3,3-DIALKYLUREIDO)NAPHTHALENE | HODOGAYA CHEMICAL CO., LTD. (JP) | 1998-02-17 | — | — | US | claimed |
| US-5892111-A | ALKYL-SUBSTITUTED M-BIS/DIMETHYLUREIDO/BENZENES | HODOGAYA CHEMICAL CO., LTD. (JP) | 1999-04-06 | — | — | US | disclosed |
| US-5719320-A | 1,5-BIS(3,3-DIALKYLUREIDO)NAPHTHALENE | HODOGAYA CHEMICAL CO., LTD. (JP) | 1998-02-17 | — | — | US | disclosed |