Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 7/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | HTT | P42858 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | PKM | P14618 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | XBP1 | P17861 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | P4HB | P07237 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30480743 | 0.86 | F11 (0.36) | ALDH1A1MAPTLMNAXBP1GAA | |
| SCHEMBL614293 | 0.86 | F11 (0.36) | ALDH1A1MAPTLMNAXBP1GAA | |
| SCHEMBL12352464 | 0.86 | MAPT (0.34) | ALDH1A1MAPTSMN1; SMN2ATMMAPK1 | |
| SCHEMBL10257068 | 0.79 | MAPT (0.37) | ALDH1A1MAPTNPSR1HPGDHTT | |
| SCHEMBL16974681 | 0.79 | MAPT (0.37) | ALDH1A1MAPTNPSR1HPGDHTT | |
| SCHEMBL21741526 | 0.77 | MAPT (0.38) | ALDH1A1MAPTNPSR1HPGDHTT | |
| SCHEMBL12352292 | 0.77 | MAPT (0.37) | MAPTNPSR1KMT2AMEN1AAK1 | |
| SCHEMBL15456090 | 0.77 | ALDH1A1 (0.33) | ALDH1A1MAPTHTTLMNAKMT2A | |
| SCHEMBL614084 | 0.77 | GSK3B (0.35) | ALDH1A1MAPTLMNAXBP1GAA | |
| SCHEMBL15456088 | 0.77 | ALDH1A1 (0.33) | ALDH1A1MAPTHTTLMNAKMT2A |
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-2534152-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-02 | — | — | EP | disclosed |