Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 7/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.43 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | FAP | Q12884 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7869080 | 0.87 | TSHR (0.47) | HTTPOLBLMNASMN1; SMN2DPP4 | |
| SCHEMBL16448218 | 0.85 | DPP7 (0.44) | DPP4DPP7DPP8DPP9CYP3A4 | |
| SCHEMBL16448217 | 0.85 | DPP7 (0.44) | DPP4DPP7DPP8DPP9CYP3A4 | |
| SCHEMBL12352122 | 0.85 | DPP7 (0.49) | DPP4MEN1KMT2ADPP7DPP8 | |
| SCHEMBL30612344 | 0.83 | L3MBTL1 (0.51) | DPP4MEN1KMT2ADPP7DPP8 | |
| SCHEMBL8220330 | 0.83 | DPP4 (0.43) | HTTPOLBLMNASMN1; SMN2DPP4 | |
| SCHEMBL23049271 | 0.82 | CYP3A4 (0.55) | HTTPOLBLMNASMN1; SMN2PKM | |
| SCHEMBL21259228 | 0.82 | HTT (0.48) | HTTPOLBLMNASMN1; SMN2PKM | |
| SCHEMBL7005858 | 0.82 | CYP3A4 (0.55) | HTTPOLBLMNASMN1; SMN2PKM | |
| SCHEMBL20746932 | 0.82 | HTT (0.48) | HTTPOLBLMNASMN1; SMN2PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-2534154-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |
| WO-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |