Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.56 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.56 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3187395 | 0.92 | S1PR1 (0.50) | ALDH1A1S1PR1S1PR3S1PR2HDAC3 | |
| SCHEMBL2224632 | 0.91 | MEN1 (0.64) | ALDH1A1S1PR1MEN1KMT2ATDP1 | |
| SCHEMBL15382486 | 0.90 | FOLH1 (0.57) | ALDH1A1S1PR1S1PR3S1PR2MEN1 | |
| SCHEMBL20184745 | 0.90 | S1PR1 (0.49) | ALDH1A1S1PR1S1PR3S1PR2MEN1 | |
| SCHEMBL12072934 | 0.90 | ALDH1A1 (0.61) | ALDH1A1S1PR1S1PR3S1PR2KMT2A | |
| SCHEMBL5940017 | 0.90 | HTT (0.62) | ALDH1A1S1PR1S1PR3S1PR2HDAC3 | |
| SCHEMBL11508408 | 0.90 | TPSAB1 (0.55) | ALDH1A1S1PR1S1PR3S1PR2MEN1 | |
| SCHEMBL3207348 | 0.90 | S1PR1 (0.60) | ALDH1A1S1PR1S1PR3S1PR2MEN1 | |
| SCHEMBL3209336 | 0.90 | S1PR1 (0.56) | ALDH1A1S1PR1S1PR3S1PR2MEN1 | |
| Hydrochloric Acid SCHEMBL7823186 | 0.90 | MEN1 (0.61) | ALDH1A1S1PR1MEN1KMT2ATDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2139461-A2 | AMINO DERIVATIVES TO PREVENT NEPHROTOXICITY AND CANCER | Recepticon Aps (DK) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008113364-A2 | AMINO DERIVATIVES TO PREVENT NEPHROTOXICITY AND CANCER | RECEPTICON APS (DK) | 2008-09-25 | — | — | WO | disclosed |