Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.31 |
| ▸ | SOD1 | P00441 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21575976 | 1.00 | THRB (0.35) | THRBKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL13883185 | 0.95 | KDM4E (0.36) | THRBKDM4EALDH1A1MEN1KMT2A | |
| Hexane SCHEMBL28215876 | 0.91 | CYP1A2 (0.40) | KDM4EALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL19155600 | 0.89 | ALDH1A1 (0.36) | KDM4EALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL21575931 | 0.71 | ALDH1A1 (0.35) | KDM4EALDH1A1MEN1KMT2ACYP1A2 | |
| Acetone SCHEMBL28103893 | 0.71 | ALDH1A1 (0.33) | ALDH1A1TDP1 | |
| SCHEMBL9419571 | 0.69 | CA1 (0.34) | ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL21575977 | 0.69 | CA1 (0.34) | ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL183432 | 0.69 | CA1 (0.34) | ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL280128 | 0.67 | SOD1 (0.54) | ALDH1A1MEN1KMT2ASOD1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104961771-B | For treating cancer and the immune cell death inducer with autoimmune disease | ABBVIE 公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-1228773-A | Heterocyclic metalloprotease inhibitors | PROCTER & GAMBLE (US) | 1999-09-15 | — | — | CN | disclosed |