Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.32 |
| ▸ | CPA3 | P15088 | 1/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL17396368 | 0.80 | CPA3 (0.39) | CPA3FOLH1 | |
| SCHEMBL14937220 | 0.80 | KIF11 (0.46) | KIF11SMN1; SMN2KMT2ALMNA | |
| SCHEMBL14746123 | 0.80 | CPA3 (0.30) | CPA3FOLH1 | |
| SCHEMBL5703237 | 0.71 | TSHR (0.38) | KIF11KDM4EALDH1A1SMN1; SMN2GAA | |
| SCHEMBL13447587 | 0.71 | SMN1; SMN2 (0.49) | KDM4EALDH1A1SMN1; SMN2GAAMEN1 | |
| SCHEMBL13221992 | 0.70 | ESR1 (0.44) | KIF11ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL9887145 | 0.68 | ESR1 (0.65) | KDM4EALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL14169231 | 0.67 | SRD5A2 (0.50) | KDM4ESMN1; SMN2KMT2ALMNA | |
| Formic Acid Phenyl Ester SCHEMBL2662 | 0.67 | — | — | |
| Formic Acid Phenyl Ester SCHEMBL27326128 | 0.67 | LTA4H (0.45) | ALDH1A1GAAPPARGMEN1KMT2A |
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-3041491-A1 | THIOETHER-,ETHER-, AND ALKYLAMINE-LINKED HYDROGEN BOND SURROGATE PERTIDOMIMENTICS | New York University (US) | 2016-07-13 | — | — | EP | disclosed |
| WO-2013033645-A1 | THIOETHER-,ETHER-, AND ALKYLAMINE-LINKED HYDROGEN BOND SURROGATE PERTIDOMIMENTICS | NEW YORK UNIVERSITY (US) | 2013-03-07 | — | — | WO | disclosed |