Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL244236 | 0.75 | KMT2A (0.68) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10465014 | 0.74 | KDM4E (0.54) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5114233 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10464945 | 0.72 | ALDH1A1 (0.41) | ALDH1A1KMT2ASMN1; SMN2MAPTHPGD | |
| SCHEMBL8121320 | 0.71 | ALDH1A1 (0.58) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11729557 | 0.69 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL11607895 | 0.68 | TOP2A (0.49) | ALDH1A1KMT2AMAPTLMNAHPGD | |
| SCHEMBL1448060 | 0.67 | ALDH1A1 (0.67) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL220742 | 0.67 | — | — | |
| SCHEMBL13753395 | 0.67 | ALDH1A1 (0.67) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 |
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-2022112207-A1 | AROMATIC SPIRO RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2022-06-02 | — | — | WO | disclosed |