Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16417933 | 1.00 | HTT (0.48) | HTTSMN1; SMN2LMNAPOLBPKM | |
| SCHEMBL16417914 | 0.88 | HTT (0.48) | HTTSMN1; SMN2LMNAPOLBPKM | |
| SCHEMBL10290686 | 0.87 | HTT (0.47) | HTTSMN1; SMN2LMNAPOLBPKM | |
| SCHEMBL12352665 | 0.86 | L3MBTL1 (0.43) | POLBMEN1KMT2A | |
| SCHEMBL14414546 | 0.86 | L3MBTL1 (0.47) | LMNAPOLBMEN1KMT2AMMP1 | |
| SCHEMBL22294055 | 0.86 | L3MBTL1 (0.43) | POLBMEN1KMT2A | |
| SCHEMBL10312969 | 0.85 | HTT (0.49) | HTTSMN1; SMN2LMNAPOLBPKM | |
| SCHEMBL10290442 | 0.82 | HTT (0.43) | HTTSMN1; SMN2LMNAPOLBPKM | |
| SCHEMBL22294213 | 0.82 | CHEK1 (0.39) | MEN1KMT2AALDH1A1 | |
| SCHEMBL16417913 | 0.82 | CHEK1 (0.39) | MEN1KMT2AALDH1A1 |
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-3786165-A1 | SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2021-03-03 | — | — | EP | disclosed |
| EP-2534154-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |