Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11606862 | 0.83 | KDM4E (0.38) | KDM4ENPSR1LMNAALDH1A1TSHR | |
| SCHEMBL11611714 | 0.76 | ALDH1A1 (0.41) | KDM4ENPSR1LMNACYP1A2POLB | |
| SCHEMBL11608450 | 0.74 | KDM4E (0.49) | KDM4ENPSR1LMNAPKMALDH1A1 | |
| SCHEMBL9013559 | 0.70 | ALDH1A1 (0.40) | KDM4ECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11607255 | 0.68 | HTT (0.32) | KDM4ENPSR1LMNACYP1A2POLB | |
| SCHEMBL28203798 | 0.66 | TSHR (0.81) | KDM4ELMNAALOX12CYP2C19ALDH1A1 | |
| SCHEMBL151082 | 0.65 | TSHR (0.68) | KDM4ELMNACYP2C19ALDH1A1TSHR | |
| SCHEMBL151565 | 0.65 | TSHR (0.57) | KDM4ENPSR1LMNACYP1A2POLB | |
| SCHEMBL11608744 | 0.65 | KDM4E (0.39) | KDM4ENPSR1POLBALDH1A1GAA | |
| SCHEMBL11607260 | 0.65 | SIGMAR1 (0.40) | KDM4ECYP1A2CYP3A4CYP2D6ALDH1A1 |
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-4075001-A | 3-Aminoisothiazole derivatives as herbicides | FMC CORPORATION (US) | 1978-02-21 | — | — | US | disclosed |