Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | CTSV | O60911 | 2/20 | 0.50 |
| ▸ | CTSL | P07711 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 2/20 | 0.49 |
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.48 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.48 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.48 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | KIT | P10721 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4725517 | 0.85 | ELANE (0.50) | ELANEHDAC6CTSVCTSLALDH1A1 | |
| SCHEMBL4728366 | 0.84 | HDAC6 (0.59) | HDAC6ALDH1A1KDM4EHPGD | |
| SCHEMBL6879935 | 0.83 | HDAC6 (0.78) | ELANEHDAC6ALDH1A1POLBEGFR | |
| SCHEMBL4781644 | 0.83 | IRAK1 (0.52) | ELANEHDAC6CTSVCTSLEGFR | |
| SCHEMBL4594235 | 0.79 | HDAC6 (0.68) | HDAC6 | |
| SCHEMBL19645642 | 0.79 | HDAC6 (0.52) | HDAC6ALDH1A1KDM4E | |
| SCHEMBL7121138 | 0.78 | KIT (0.48) | ELANECTSVCTSLALDH1A1POLB | |
| SCHEMBL663991 | 0.78 | HDAC6 (0.54) | ELANEHDAC6ALDH1A1POLBEGFR | |
| SCHEMBL4300106 | 0.78 | HDAC6 (0.60) | HDAC6ALDH1A1POLBEGFRTLR9 | |
| SCHEMBL10296328 | 0.78 | KDM1A (0.56) | ELANEEGFRKDM1AIRAK1IRAK4 |
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-9827248-B2 | Therapeutic compounds and uses thereof | KALA PHARMACEUTICALS, INC. (US) | 2017-11-28 | — | — | US | disclosed |