Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16900183 | 1.00 | CYP1A2 (0.55) | CYP1A2TSHRLMNATYRNPC1 | |
| SCHEMBL1825729 | 0.85 | CYP1A2 (0.64) | CYP1A2TSHRLMNATYRNPC1 | |
| SCHEMBL1825727 | 0.85 | CYP1A2 (0.64) | CYP1A2TSHRLMNATYRNPC1 | |
| SCHEMBL29145894 | 0.82 | CYP1A2 (0.61) | CYP1A2TSHRLMNATYRNPC1 | |
| SCHEMBL29349761 | 0.80 | CYP1A2 (0.59) | CYP1A2TSHRLMNATYRNPC1 | |
| SCHEMBL18843945 | 0.79 | CYP1A2 (0.53) | CYP1A2TSHRLMNATYRNPC1 | |
| SCHEMBL868821 | 0.78 | CYP1A2 (0.57) | CYP1A2TSHRLMNATYRNPC1 | |
| SCHEMBL868822 | 0.78 | CYP1A2 (0.57) | CYP1A2TSHRLMNATYRNPC1 | |
| SCHEMBL6546384 | 0.76 | CYP1A2 (0.55) | CYP1A2TSHRLMNANPC1RAB9A | |
| SCHEMBL7535089 | 0.76 | CYP1A2 (0.55) | CYP1A2TSHRLMNANPC1RAB9A |
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-114957016-B | Synthesis method of o-diamine compound | 江南大学 | 2023-07-04 | — | — | CN | disclosed |