Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CPA1 | P15085 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL809523 | 0.88 | KMT2A (0.49) | KMT2AALDH1A1CYP3A4CPA1NPC1 | |
| SCHEMBL9753033 | 0.88 | KMT2A (0.49) | KMT2AALDH1A1CYP3A4CPA1NPC1 | |
| SCHEMBL27165021 | 0.88 | KMT2A (0.49) | KMT2AALDH1A1CYP3A4CPA1NPC1 | |
| SCHEMBL22831452 | 0.81 | GABBR2 (0.58) | KMT2AALDH1A1CYP3A4CPA1NPC1 | |
| SCHEMBL29147714 | 0.81 | GABBR2 (0.58) | KMT2AALDH1A1CYP3A4CPA1NPC1 | |
| SCHEMBL698333 | 0.81 | ALDH1A1 (0.51) | KMT2AALDH1A1CYP3A4CPA1NPC1 | |
| SCHEMBL29921355 | 0.81 | ALDH1A1 (0.51) | KMT2AALDH1A1CYP3A4CPA1NPC1 | |
| SCHEMBL9294262 | 0.78 | F2 (0.50) | KMT2AALDH1A1CYP3A4CPA1NPC1 | |
| SCHEMBL1987488 | 0.78 | MTNR1A (0.61) | KMT2AALDH1A1CYP3A4CPA1NPC1 | |
| SCHEMBL22831472 | 0.77 | ATM (0.55) | KMT2AALDH1A1CPA1NPC1ADAM17 |
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-107011180-B | Two enantiomers of 2, 6-diamino triptycene and detection and separation method thereof | 华中科技大学 | 2019-12-06 | — | — | CN | disclosed |