Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL11116080 | 0.88 | TSHR (0.55) | TSHRCES1PPARAPPARGCES2 | |
| Chlorobenzene SCHEMBL28416694 | 0.81 | TSHR (0.58) | TSHRCES1CES2KMT2ACYP1A2 | |
| Chlorobenzene SCHEMBL3119838 | 0.81 | TSHR (0.65) | TSHRCES1CES2KMT2ACYP1A2 | |
| Chlorobenzene SCHEMBL27500933 | 0.81 | TSHR (0.65) | TSHRCES1CES2KMT2ACYP1A2 | |
| Iodobenzene SCHEMBL28291735 | 0.81 | CES1 (0.41) | CES1CYP1A2SMN1; SMN2 | |
| Chlorobenzene SCHEMBL27484105 | 0.81 | TSHR (0.42) | TSHRCES1PPARAPPARGCES2 | |
| Chlorobenzene SCHEMBL28307653 | 0.79 | TSHR (0.61) | TSHRCES1CES2KMT2ACYP1A2 | |
| Trifluoroacetic Acid SCHEMBL5745817 | 0.78 | ALDH1A1 (0.35) | TSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3833376 | 0.78 | ALDH1A1 (0.35) | TSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL140346 | 0.78 | ALDH1A1 (0.35) | TSHRALDH1A1 |
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-4439611-A | Isolation of [S-(R*, S*]-1-(3-acetylthio-3-benzoyl-2-methylpropionyl)-L-proline from a diastereomeric mixture | AMERICAN CYANAMID COMPANY (US) | 1984-03-27 | — | — | US | disclosed |