Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.93 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL57658 | 1.00 | — | — | |
| Ethylbenzene SCHEMBL10592575 | 0.97 | TP53 (0.88) | TP53CALM1ALDH1A1CYP1A2CYP2A6 | |
| Ethylbenzene SCHEMBL246705 | 0.97 | TP53 (0.88) | TP53CALM1ALDH1A1CYP1A2CYP2A6 | |
| Ethylbenzene SCHEMBL11703785 | 0.97 | TP53 (0.88) | TP53CALM1ALDH1A1CYP1A2CYP2A6 | |
| Ethylbenzene SCHEMBL27455702 | 0.97 | TP53 (0.88) | TP53CALM1ALDH1A1CYP1A2CYP2A6 | |
| Ethylbenzene SCHEMBL25237466 | 0.97 | TP53 (0.88) | TP53CALM1ALDH1A1CYP1A2CYP2A6 | |
| Ethylbenzene SCHEMBL11223212 | 0.97 | TP53 (1.00) | TP53CALM1ALDH1A1CYP1A2CYP2A6 | |
| Ethylbenzene SCHEMBL3987542 | 0.97 | TP53 (1.00) | TP53CALM1ALDH1A1CYP1A2CYP2A6 | |
| Ethylbenzene SCHEMBL7458207 | 0.97 | TP53 (1.00) | TP53CALM1ALDH1A1CYP1A2CYP2A6 | |
| Ethylbenzene SCHEMBL1332452 | 0.97 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1228067-A1 | 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY | Takeda Chemical Industries, Ltd. (JP) | 2002-08-07 | — | — | EP | disclosed |
| EP-1129088-A2 | CRYSTALLINE FORM OF (R)-2-[[[3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDINYL]METHYL]SULFINYL]-1H-BENZIMIDAZOLE | Takeda Chemical Industries, Ltd. (JP) | 2001-09-05 | — | — | EP | disclosed |
| WO-2001038325-A1 | 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-31 | — | — | WO | disclosed |
| WO-2000078745-A2 | CRYSTALLINE FORM OF (R)-2-[[[3-METHYL- 4- (2,2,2,- TRIFLUOROETHOXY) -2- PYRIDINYL] METHYL] SULFINYL] -1H-BENZIMIDAZOLE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-12-28 | — | — | WO | disclosed |