Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20209780 | 0.82 | CHRNA7 (0.44) | IDO1TDO2GABRA2GABRB2GPBAR1 | |
| SCHEMBL15933234 | 0.80 | ALDH1A1 (0.49) | IDO1TDO2GABRA2GABRB2NOTUM | |
| SCHEMBL15930177 | 0.77 | IDO1 (0.44) | IDO1TDO2GABRA2GABRB2GPBAR1 | |
| SCHEMBL28342182 | 0.70 | IDO1 (0.48) | IDO1TDO2HTTLMNAL3MBTL1 | |
| SCHEMBL15331454 | 0.70 | KMT2A (0.47) | POLBMPOHTTLMNACYP1A2 | |
| SCHEMBL28664748 | 0.69 | IDO1 (0.44) | IDO1TDO2POLB | |
| SCHEMBL5543153 | 0.68 | NOTUM (0.54) | IDO1TDO2POLBNOTUMHTT | |
| SCHEMBL30584635 | 0.68 | IDO1 (0.49) | IDO1TDO2POLBMPONOTUM | |
| SCHEMBL29092867 | 0.68 | IDO1 (0.49) | IDO1TDO2POLBMPONOTUM | |
| SCHEMBL18504499 | 0.68 | IDO1 (0.49) | IDO1TDO2POLBMPONOTUM |
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 |
|---|---|---|---|---|---|---|---|
| EP-2739628-B1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-07 | — | — | EP | disclosed |