Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PDE7A | Q13946 | 5/20 | 0.36 |
| ▸ | USP7 | Q93009 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11171597 | 0.90 | TSHR (0.47) | TSHRMAPK1NCOA1NCOA3S1PR4 | |
| Ether SCHEMBL11164208 | 0.80 | TSHR (0.41) | TSHRMAPK1NCOA1NCOA3S1PR4 | |
| SCHEMBL2545546 | 0.73 | MAPK1 (0.58) | TSHRMAPK1LMNAALDH1A1MAPT | |
| SCHEMBL11153449 | 0.73 | TSHR (0.44) | TSHRMAPK1S1PR4LMNAALDH1A1 | |
| SCHEMBL5005311 | 0.73 | MAPT (0.63) | MAPK1LMNAALDH1A1MAPTKMT2A | |
| Ether SCHEMBL9342563 | 0.71 | TDP1 (0.43) | MAPK1LMNAALDH1A1MAPTKMT2A | |
| Ether SCHEMBL9347572 | 0.70 | TDP1 (0.42) | MAPK1LMNAALDH1A1MAPTKMT2A | |
| SCHEMBL11150115 | 0.68 | TDP1 (0.62) | TSHRMAPK1S1PR4LMNAMAPT | |
| Water SCHEMBL11164211 | 0.68 | TSHR (0.47) | TSHRMAPK1NCOA1NCOA3ALDH1A1 | |
| SCHEMBL3480527 | 0.67 | TDP1 (0.44) | TSHRMAPK1LMNAALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4401461-A | PRE- AND POSTEMERGENCE HERBICIDES; RICE | ROHM AND HAAS COMPANY (US) | 1983-08-30 | — | — | US | disclosed |
| US-4039588-A | ALKOXY, AMINO, HALO-, OR CYANO-SUBSTITUTED | ROHM AND HAAS COMPANY (US) | 1977-08-02 | — | — | US | disclosed |