Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
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 SCHEMBL9474534 | 0.94 | TP53 (0.93) | TP53ALDH1A1CES2CES1AKR1B1 | |
| Ethylbenzene SCHEMBL28056495 | 0.94 | TP53 (0.93) | TP53ALDH1A1CES2CES1AKR1B1 | |
| Ethylbenzene SCHEMBL28009971 | 0.94 | TP53 (0.93) | TP53ALDH1A1CES2CES1AKR1B1 | |
| Ethylbenzene SCHEMBL216251 | 0.94 | TP53 (0.93) | TP53ALDH1A1CES2CES1AKR1B1 | |
| Ethylbenzene SCHEMBL28193346 | 0.91 | TP53 (0.88) | TP53ALDH1A1TSHRSMN1; SMN2POLB | |
| Ethylbenzene SCHEMBL9618498 | 0.91 | TP53 (0.88) | TP53ALDH1A1LOXL2SMN1; SMN2TAAR1 | |
| Ethylbenzene SCHEMBL27500749 | 0.91 | TP53 (0.88) | TP53ALDH1A1TSHRSMN1; SMN2POLB | |
| Ethylbenzene SCHEMBL7641757 | 0.91 | TP53 (0.88) | TP53ALDH1A1CES2CES1AKR1B1 | |
| Ethylbenzene SCHEMBL1312847 | 0.91 | TP53 (0.88) | TP53ALDH1A1LOXL2SMN1; SMN2TAAR1 | |
| Ethylbenzene SCHEMBL11223212 | 0.91 | TP53 (1.00) | TP53ALDH1A1LOXL2TSHRSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6222072-B1 | RACTING IMINE WITH HYDRIDE REAGENT IN PRESENCE OF OPTICALLY ACTIVE METAL COMPOUND, WHEREIN HYDRIDE REAGENT IS A METAL HYDRIDE, REAGENT THAT UNDERGOES METAL EXCHANGE, METAL TRIALKOXY HYDRIDE COMPLEX OR METAL(TRICARBOXYLIC ACID)HYDRIDE | MITSUI CHEMICALS INC. (JP) | 2001-04-24 | — | — | US | disclosed |