Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 11/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL14645352 | 0.85 | SMN1; SMN2 (0.62) | KDM4ESMN1; SMN2AKR1C3AKR1C2CA1 | |
| SCHEMBL29951546 | 0.85 | SMN1; SMN2 (0.62) | KDM4ESMN1; SMN2AKR1C3AKR1C2CA1 | |
| SCHEMBL383820 | 0.80 | ALDH1A1 (0.66) | KDM4ESMN1; SMN2AKR1C3AKR1C2CA1 | |
| Benzene SCHEMBL29227606 | 0.79 | ALDH1A1 (0.63) | KDM4ESMN1; SMN2AKR1C3AKR1C2NPC1 | |
| SCHEMBL23354505 | 0.78 | NPC1 (0.44) | KDM4EAKR1C3AKR1C2CA1CA2 | |
| SCHEMBL29953731 | 0.78 | NPC1 (0.44) | KDM4EAKR1C3AKR1C2CA1CA2 | |
| SCHEMBL4053377 | 0.77 | TSHR (0.48) | KDM4ESMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL1804047 | 0.77 | SMN1; SMN2 (0.56) | KDM4ESMN1; SMN2AKR1C3AKR1C2CA1 | |
| SCHEMBL5307872 | 0.77 | NPC1 (0.63) | KDM4ESMN1; SMN2AKR1C3AKR1C2NPC1 | |
| SCHEMBL1180221 | 0.77 | LCK (0.58) | KDM4ESMN1; SMN2AKR1C3AKR1C2CA1 |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |