Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL5962473 | 0.87 | TSHR (0.54) | ALDH1A1TSHRMEN1KMT2AHTT | |
| SCHEMBL13151737 | 0.82 | MEN1 (0.50) | ALDH1A1MEN1KMT2AHTTL3MBTL1 | |
| SCHEMBL16889082 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TSHRMEN1KMT2AHTT | |
| SCHEMBL12562387 | 0.81 | TSHR (0.50) | ALDH1A1TSHRMEN1KMT2AHTT | |
| SCHEMBL13596171 | 0.80 | MEN1 (0.47) | ALDH1A1MEN1KMT2AHTTL3MBTL1 | |
| SCHEMBL1726185 | 0.79 | TSHR (0.46) | ALDH1A1TSHRMEN1KMT2AHTT | |
| SCHEMBL25454660 | 0.78 | SIGMAR1 (0.44) | ALDH1A1TSHRMEN1KMT2AHTT | |
| SCHEMBL11708893 | 0.78 | TAAR1 (0.52) | ALDH1A1TSHRMEN1KMT2AHTT | |
| SCHEMBL13539088 | 0.78 | TSHR (0.45) | ALDH1A1TSHRMEN1KMT2AHTT | |
| SCHEMBL22009525 | 0.77 | MEN1 (0.45) | ALDH1A1MEN1KMT2AHTTL3MBTL1 |
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-2015103583-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-07-09 | — | — | WO | disclosed |