Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDAH1 | O94760 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL463268 | 0.98 | DDAH1 (0.59) | DDAH1POLBGAANPC1RAB9A | |
| Phosphine SCHEMBL28188475 | 0.96 | DDAH1 (0.58) | DDAH1POLBGAANPC1RAB9A | |
| Hydrogen Sulfide SCHEMBL29094907 | 0.96 | DDAH1 (0.58) | DDAH1POLBGAANPC1RAB9A | |
| Iodide SCHEMBL29040436 | 0.96 | DDAH1 (0.58) | DDAH1POLBGAANPC1RAB9A | |
| Biphenyl SCHEMBL28917228 | 0.92 | GAA (0.54) | DDAH1POLBGAANPC1RAB9A | |
| Carbamic Acid SCHEMBL7194349 | 0.88 | CHRM1 (0.56) | DDAH1POLBGAANPC1RAB9A | |
| Quinoline SCHEMBL28872941 | 0.86 | NPC1 (0.50) | DDAH1POLBGAANPC1RAB9A | |
| SCHEMBL10350115 | 0.83 | SMN1; SMN2 (0.51) | DDAH1POLBGAANPC1RAB9A | |
| SCHEMBL8322003 | 0.81 | POLB (0.66) | DDAH1POLBGAANPC1RAB9A | |
| SCHEMBL14128454 | 0.80 | DDAH1 (0.65) | DDAH1POLBGAANPC1RAB9A |
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-110117299-B | Rhodium complex containing ortho-carbon boron alkyl benzimidazole structure and preparation and application thereof | 上海应用技术大学 | 2021-05-11 | — | — | CN | disclosed |
| CN-110117299-B | Rhodium complex containing ortho-carbon boron alkyl benzimidazole structure and preparation and application thereof | 上海应用技术大学 | 2021-05-11 | — | — | CN | disclosed |