Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.68 |
| ▸ | TSHR | P16473 | 3/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.68 |
| ▸ | HPGD | P15428 | 2/20 | 0.68 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.68 |
| ▸ | GLA | P06280 | 1/20 | 0.68 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | HTR2C | P28335 | 7/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | SPR | P35270 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL20182375 | 0.87 | NPSR1 (0.70) | NPSR1ALDH1A1LMNACYP2C9TSHR | |
| SCHEMBL14300167 | 0.84 | MPO (0.72) | TSHRSPRNOTUMHTR2ASLC6A4 | |
| SCHEMBL13996187 | 0.84 | SPR (0.73) | NPSR1ALDH1A1LMNAHPGDKDM4E | |
| SCHEMBL7022138 | 0.83 | MPO (0.75) | NPSR1ALDH1A1LMNACYP2C9TSHR | |
| SCHEMBL14790896 | 0.83 | NPSR1 (0.74) | NPSR1ALDH1A1LMNACYP2C9TSHR | |
| SCHEMBL853729 | 0.82 | NPSR1 (0.68) | NPSR1ALDH1A1LMNACYP2C9TSHR | |
| SCHEMBL8252641 | 0.82 | KDM4E (0.73) | ALDH1A1HPGDPMP22KDM4ETDP1 | |
| SCHEMBL138121 | 0.81 | NPSR1 (1.00) | NPSR1ALDH1A1LMNACYP2C9TSHR | |
| Dimethylamine SCHEMBL8878578 | 0.81 | HTR2C (0.68) | NPSR1ALDH1A1LMNACYP2C9TSHR | |
| SCHEMBL29350604 | 0.81 | NPSR1 (1.00) | NPSR1ALDH1A1LMNACYP2C9TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018094005-A1 | MYELOPEROXIDASE IMAGING AGENTS | THE GENERAL HOSPITAL CORPORATION (US) | 2018-05-24 | — | — | WO | disclosed |