Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | PKM | P14618 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | REN | P00797 | 2/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL362234 | 0.84 | ALDH1A1 (0.50) | ALDH1A1PKMKDM4ERAB9APOLB | |
| SCHEMBL743702 | 0.71 | ALDH1A1 (0.52) | ALDH1A1PKMKDM4ESMN1; SMN2POLB | |
| SCHEMBL14640214 | 0.70 | TP53 (0.55) | ALDH1A1PKMKDM4ESMN1; SMN2RAB9A | |
| SCHEMBL8547801 | 0.69 | BRD4 (0.50) | ALDH1A1SMN1; SMN2RAB9ATMEM97POLB | |
| SCHEMBL6702998 | 0.67 | ALDH1A1 (0.74) | ALDH1A1PKMSMN1; SMN2RAB9APOLB | |
| Diethanolamine SCHEMBL28027683 | 0.67 | SMN1; SMN2 (0.50) | ALDH1A1PKMSMN1; SMN2RAB9ATMEM97 | |
| SCHEMBL2169988 | 0.67 | POLB (0.55) | ALDH1A1KDM4ESMN1; SMN2RAB9APOLB | |
| SCHEMBL13947941 | 0.67 | BRD4 (0.48) | ALDH1A1PKMSMN1; SMN2RAB9ATMEM97 | |
| SCHEMBL14802220 | 0.66 | ALDH1A1 (0.70) | ALDH1A1PKMKDM4ESMN1; SMN2TMEM97 | |
| SCHEMBL5838487 | 0.66 | NTRK2 (0.46) | ALDH1A1KDM4ERECQLRENLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111215138-A | catalyst, preparation method and application of catalyst in preparation of β -isophorone | 万华化学集团股份有限公司 | 2020-06-02 | — | — | CN | disclosed |