Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MELK | Q14680 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2236603 | 0.94 | KDM4E (0.41) | ALDH1A1L3MBTL1TDP1KDM4ELMNA | |
| SCHEMBL616907 | 0.88 | TDP1 (0.42) | ALDH1A1L3MBTL1TDP1KDM4EMAPT | |
| SCHEMBL615597 | 0.82 | TDP1 (0.43) | TDP1KDM4EMAPTHSD17B10FAAH | |
| SCHEMBL18947752 | 0.77 | KDM4E (0.41) | ALDH1A1L3MBTL1TDP1KDM4ELMNA | |
| SCHEMBL18152957 | 0.70 | POLB (0.46) | ALDH1A1LMNAMAPTKMT2ANPC1 | |
| SCHEMBL614689 | 0.70 | KDM4E (0.68) | ALDH1A1L3MBTL1KDM4ELMNAMAPT | |
| SCHEMBL18152952 | 0.69 | ERCC5 (0.44) | ALDH1A1L3MBTL1LMNAMAPTHPGD | |
| SCHEMBL18152944 | 0.69 | NPC1 (0.44) | ALDH1A1LMNAMAPTHPGDKMT2A | |
| SCHEMBL614170 | 0.68 | TDP1 (0.48) | TDP1KDM4ELMNAMAPTHSD17B10 | |
| SCHEMBL4472624 | 0.68 | MEN1 (0.59) | ALDH1A1L3MBTL1TDP1KDM4ELMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2534152-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| EP-2534154-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011100402-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |
| WO-2011100401-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-18 | — | — | WO | disclosed |