Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15833696 | 0.79 | CYP1A2 (0.40) | CYP1A2CYP2C9KDM4ENPC1RAB9A | |
| SCHEMBL21611244 | 0.72 | CYP1A2 (0.35) | CYP1A2CYP2C9KDM4ENPC1RAB9A | |
| SCHEMBL16158619 | 0.69 | KDM4E (0.37) | CYP1A2CYP2C9KDM4ENPC1RAB9A | |
| SCHEMBL31479337 | 0.68 | KDM4E (0.35) | KDM4ENPC1RAB9AMAPK1ALDH1A1 | |
| SCHEMBL13676388 | 0.68 | CYP1A2 (0.53) | CYP1A2CYP2C9KDM4ENPC1RAB9A | |
| SCHEMBL10207538 | 0.67 | KDM4E (0.58) | KDM4ENPC1RAB9AMAPK1ALDH1A1 | |
| SCHEMBL32664927 | 0.63 | RAB9A (0.48) | KDM4ENPC1RAB9AMAPK1ALDH1A1 | |
| SCHEMBL10238918 | 0.63 | CYP1A2 (0.56) | CYP1A2CYP2C9KDM4ENPC1RAB9A | |
| SCHEMBL19631265 | 0.63 | KDM4E (0.33) | CYP1A2KDM4ENPC1RAB9AMAPK1 | |
| SCHEMBL22300408 | 0.62 | CYP1A2 (0.50) | CYP1A2CYP2C9KDM4EALDH1A1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019209948-A9 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2020-01-02 | — | — | WO | disclosed |
| WO-2019018795-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS (US) | 2019-01-24 | — | — | WO | disclosed |
| WO-2018081167-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS (US) | 2018-05-03 | — | — | WO | disclosed |