Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6154370 | 0.84 | MMP8 (0.51) | ALDH1A1KMT2ACYP19A1POLBTSHR | |
| SCHEMBL29105688 | 0.83 | CYP19A1 (0.44) | ALDH1A1KMT2ACYP3A4CYP19A1TSHR | |
| SCHEMBL11262091 | 0.82 | CYP19A1 (0.57) | KMT2ACYP3A4CYP2C19CYP19A1POLB | |
| SCHEMBL12896270 | 0.82 | CYP19A1 (0.57) | KMT2ACYP3A4CYP2C19CYP19A1POLB | |
| SCHEMBL7264905 | 0.80 | KMT2A (0.46) | ALDH1A1KMT2ACYP3A4CYP2C19CYP19A1 | |
| SCHEMBL3598733 | 0.78 | KMT2A (0.69) | ALDH1A1KMT2ATSHRMEN1PTGS2 | |
| SCHEMBL9313982 | 0.77 | ALDH1A1 (0.51) | ALDH1A1KMT2ACYP19A1POLBMEN1 | |
| SCHEMBL7385100 | 0.77 | SMN1; SMN2 (0.53) | ALDH1A1KMT2ACYP2C19POLBMEN1 | |
| SCHEMBL6479736 | 0.77 | LTA4H (0.47) | ALDH1A1KMT2APOLBMEN1PTGS2 | |
| SCHEMBL10185057 | 0.77 | ALDH1A1 (0.58) | ALDH1A1KMT2AMEN1NPC1RAB9A |
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-108884050-B | Tetrahydroisoquinoline derivatives | UCB生物制药私人有限公司 | 2022-07-05 | — | — | CN | disclosed |