Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30722035 | 0.78 | ADRA2C (0.39) | ALDH1A1HPGDMAPTGAAKDM4E | |
| SCHEMBL23346795 | 0.78 | ADRA2C (0.39) | ALDH1A1HPGDMAPTGAAKDM4E | |
| Iodide SCHEMBL29271507 | 0.77 | ADRA2C (0.38) | ALDH1A1HPGDMAPTGAAKDM4E | |
| SCHEMBL27666901 | 0.74 | MEN1 (0.37) | ALDH1A1HPGDMAPTGAAKDM4E | |
| SCHEMBL13091109 | 0.70 | TSHR (0.31) | TSHRMAPK1 | |
| SCHEMBL31711451 | 0.69 | HTR7 (0.46) | MAPTKDM4EMEN1KMT2AMAPK1 | |
| SCHEMBL29434173 | 0.68 | P2RX4 (0.37) | ALDH1A1HPGDMAPTGAAKDM4E | |
| SCHEMBL1198914 | 0.68 | P2RX4 (0.37) | ALDH1A1HPGDMAPTGAAKDM4E | |
| Hydrochloric Acid SCHEMBL29035745 | 0.67 | MEN1 (0.37) | ALDH1A1HPGDMAPTGAAKDM4E | |
| Iodide SCHEMBL7101346 | 0.67 | P2RX4 (0.36) | ALDH1A1HPGDMAPTGAAKDM4E |
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-6251913-B1 | Hydroxamic acids substituted by heterocycles useful for inhibition of tumor necrosis factor | ZENECA LIMITED (GB) | 2001-06-26 | — | — | US | disclosed |