Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | METAP1 | P53582 | 2/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 3/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2814618 | 0.84 | PIN1 (0.54) | KDM4ESMN1; SMN2HPSENAMPTALDH1A1 | |
| SCHEMBL23835762 | 0.82 | KDM4E (0.49) | KDM4ESMN1; SMN2HPSENAMPTALDH1A1 | |
| SCHEMBL24450252 | 0.82 | SMN1; SMN2 (0.52) | KDM4ESMN1; SMN2HPSENAMPTALDH1A1 | |
| SCHEMBL23836090 | 0.79 | KDM5A (0.51) | KDM4ESMN1; SMN2HPSENAMPTALDH1A1 | |
| SCHEMBL25789859 | 0.79 | NAMPT (0.58) | KDM4ESMN1; SMN2HPSENAMPT | |
| SCHEMBL1132610 | 0.77 | MAPT (0.62) | KDM4ESMN1; SMN2AURKANPC1RAB9A | |
| Pyridine SCHEMBL28787917 | 0.76 | MAPT (0.57) | KDM4ESMN1; SMN2AURKARAB9AMAPT | |
| Chloromethane SCHEMBL29246404 | 0.75 | MAPT (0.60) | KDM4ESMN1; SMN2AURKANPC1RAB9A | |
| SCHEMBL28870254 | 0.72 | PLAU (0.54) | KDM4EPKMPIN1 | |
| SCHEMBL26429030 | 0.72 | AURKA (0.42) | KDM4ESMN1; SMN2HPSENAMPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021252644-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2021-12-16 | — | — | WO | disclosed |