Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.74 |
| ▸ | LMNA | P02545 | 3/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA5A | P35218 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | MMP9 | P14780 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL8975758 | 0.98 | TSHR (0.77) | TSHRLMNAKMT2AGAAHTT | |
| Dinitrophenylene SCHEMBL9798067 | 0.89 | TSHR (0.71) | TSHRLMNAKMT2AGAAHTT | |
| Dinitrophenylene SCHEMBL27564057 | 0.89 | TSHR (0.94) | TSHRLMNAKMT2AGAAHTT | |
| SCHEMBL2008386 | 0.87 | ALDH1A1 (0.55) | TSHRLMNAKMT2AGAAHTT | |
| Nitrobenzene SCHEMBL9461800 | 0.86 | ALDH1A1 (0.76) | TSHRLMNAKMT2AGAAHTT | |
| Nitrobenzene SCHEMBL153931 | 0.86 | ALDH1A1 (0.76) | TSHRLMNAKMT2AGAAHTT | |
| Dinitrophenylene SCHEMBL29291896 | 0.86 | TSHR (1.00) | TSHRLMNAKMT2AGAAHTT | |
| Dinitrophenylene SCHEMBL36632 | 0.86 | TSHR (1.00) | TSHRLMNAKMT2AGAAHTT | |
| SCHEMBL27285615 | 0.86 | ALDH1A1 (0.85) | TSHRLMNAKMT2AGAAHTT | |
| Dinitrophenylene SCHEMBL34066 | 0.84 | TSHR (0.77) | TSHRLMNAKMT2AGAAHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105461589-A | Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals | SANOFI AVENTIS | 2016-04-06 | — | — | CN | disclosed |
| CN-105418450-A | ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI AVENTIS | 2016-03-23 | — | — | CN | disclosed |