Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM6B | O15054 | 1/20 | 0.49 |
| ▸ | KDM6A | O15550 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | HPGD | P15428 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 7/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | TP53 | P04637 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL2493869 | 0.86 | ALDH1A1 (0.56) | KDM6BKDM6AALDH1A1HPGDKDM4E | |
| SCHEMBL20405113 | 0.78 | NPC1 (0.49) | ALDH1A1HPGDKDM4EMAPTUSP2 | |
| SCHEMBL23663724 | 0.78 | ALDH1A1 (0.49) | KDM6BKDM6AALDH1A1HPGDKDM4E | |
| SCHEMBL15106798 | 0.78 | KDM6B (0.54) | KDM6BKDM6AALDH1A1HPGDKDM4E | |
| SCHEMBL824375 | 0.78 | NPC1 (0.69) | KDM6BKDM6AALDH1A1HPGDKDM4E | |
| SCHEMBL29531707 | 0.78 | NPC1 (0.69) | KDM6BKDM6AALDH1A1HPGDKDM4E | |
| SCHEMBL22205293 | 0.77 | NPC1 (0.54) | ALDH1A1HPGDKDM4EMAPTUSP2 | |
| SCHEMBL13197403 | 0.76 | ALDH1A1 (0.54) | KDM6BKDM6AALDH1A1HPGDKDM4E | |
| SCHEMBL6336035 | 0.75 | HDAC6 (0.47) | KDM6BKDM6AALDH1A1HPGDKDM4E | |
| SCHEMBL29627559 | 0.74 | ALDH1A1 (0.65) | KDM6BKDM6AALDH1A1HPGDKDM4E |
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-2023242454-A1 | HYBRID MATERIAL FOR DETECTING ACID AND BASE VAPOURS | UNIVERSIDAD DE CASTILLA LA MANCHA (ES) | 2023-12-21 | — | — | WO | disclosed |