Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28940902 | 1.00 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL10369182 | 0.86 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL6158455 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL3258912 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL29032830 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL3335582 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL7528501 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL12278852 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL10344185 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDNPC1RAB9A | |
| SCHEMBL8390018 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDNPC1RAB9A |
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-108101826-B | Indole-substituted alkylamine compound and application thereof | 华东理工大学 | 2022-05-10 | — | — | CN | disclosed |