Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13437612 | 0.91 | CXCR2 (0.48) | ALDH1A1KDM4ETSHRMAPTCXCR2 | |
| SCHEMBL3368363 | 0.90 | TSHR (0.50) | ALDH1A1KDM4ETSHRMAPTCXCR2 | |
| SCHEMBL3365614 | 0.88 | ALDH1A1 (0.46) | ALDH1A1KDM4ETSHRMAPTCXCR2 | |
| SCHEMBL3367397 | 0.87 | ALDH1A1 (0.46) | ALDH1A1KDM4ETSHRMAPTCXCR2 | |
| SCHEMBL3367935 | 0.86 | TSHR (0.44) | ALDH1A1KDM4ETSHRMAPTCXCR2 | |
| SCHEMBL3368009 | 0.86 | TSHR (0.46) | ALDH1A1KDM4ETSHRMAPTCXCR2 | |
| SCHEMBL3368711 | 0.84 | CXCR2 (0.56) | ALDH1A1KDM4ETSHRMAPTCXCR2 | |
| SCHEMBL3368375 | 0.83 | TSHR (0.49) | ALDH1A1KDM4ETSHRMAPTCXCR2 | |
| SCHEMBL3365525 | 0.83 | CXCR2 (0.56) | ALDH1A1TSHRMAPTCXCR2L3MBTL1 | |
| SCHEMBL3368359 | 0.83 | CXCR2 (0.59) | ALDH1A1KDM4ETSHRMAPTCXCR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2094696-B1 | 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS | NOVARTIS AG (CH) | 2010-10-13 | — | — | EP | disclosed |