Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSH | P09668 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 5/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28614225 | 1.00 | KDM4E (0.43) | KDM4ETDP1ALDH1A1RAB9ANPC1 | |
| SCHEMBL28628361 | 1.00 | KDM4E (0.43) | KDM4ETDP1ALDH1A1RAB9ANPC1 | |
| SCHEMBL28614227 | 1.00 | KDM4E (0.43) | KDM4ETDP1ALDH1A1RAB9ANPC1 | |
| SCHEMBL5930124 | 0.92 | ANPEP (0.46) | KDM4EALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL5930117 | 0.92 | ANPEP (0.46) | KDM4EALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL16912773 | 0.92 | ANPEP (0.46) | KDM4EALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL8577592 | 0.87 | F2 (0.44) | BCHEANPEPBACE1 | |
| SCHEMBL8580373 | 0.86 | BCHE (0.52) | BCHEANPEPBACE1 | |
| SCHEMBL5578364 | 0.82 | CYP3A4 (0.42) | ALDH1A1RAB9ANPC1TSHRCYP1A2 | |
| SCHEMBL3356361 | 0.82 | CYP3A4 (0.42) | ALDH1A1RAB9ANPC1TSHRCYP1A2 |
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-113277991-B | Nitrogen heterocyclic ring amino derivative, preparation method thereof and anti-HIV-1 drug | 中国医学科学院医药生物技术研究所 | 2022-07-12 | — | — | CN | disclosed |
| CN-113277991-A | Nitrogen heterocyclic ring amino derivative, preparation method thereof and anti-HIV-1 drug | 中国医学科学院医药生物技术研究所 | 2021-08-20 | — | — | CN | disclosed |