Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
| ▸ | CKS1B | P61024 | 1/20 | 0.30 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.30 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.30 |
| ▸ | HTR5A | P47898 | 1/20 | 0.30 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10011877 | 0.90 | COMT (0.34) | COMTMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL1654657 | 0.84 | COMT (0.33) | COMTALDH1A1 | |
| SCHEMBL1654006 | 0.84 | COMT (0.37) | COMTMEN1KMT2AALDH1A1HTT | |
| SCHEMBL10012334 | 0.81 | COMT (0.33) | COMTALDH1A1KDM4E | |
| SCHEMBL27949731 | 0.81 | GAA (0.36) | COMTMEN1KMT2AKDM4EGAA | |
| SCHEMBL11903869 | 0.80 | CA1 (0.37) | COMTALDH1A1KDM4E | |
| SCHEMBL1654724 | 0.79 | COMT (0.36) | COMTMEN1KMT2AALDH1A1HTT | |
| SCHEMBL27949733 | 0.77 | KDM4E (0.33) | KMT2AALDH1A1HTTHTR5AKDM4E | |
| SCHEMBL10012497 | 0.76 | COMT (0.33) | COMTALDH1A1KDM4E | |
| SCHEMBL12780362 | 0.75 | TDP1 (0.35) | COMTMEN1KMT2AALDH1A1HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2675803-A1 | MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS | Elanco Animal Health Ireland Limited (IE) | 2013-12-25 | — | — | EP | disclosed |
| WO-2012112345-A1 | MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS | ELANCO ANIMAL HEALTH IRELAND LIMITED (US) | 2012-08-23 | — | — | WO | disclosed |
| EP-2488521-A1 | MACROCYCLIC INTEGRASE INHIBITORS | Elanco Animal Health Ireland Limited (IE) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011045330-A1 | MACROCYCLIC INTEGRASE INHIBITORS | TIBOTEC PHARMACEUTICALS (IE) | 2011-04-21 | — | — | WO | disclosed |