Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | DHODH | Q02127 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4771212 | 0.84 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6832242 | 0.84 | TDP1 (0.67) | ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL23812446 | 0.84 | TDP1 (0.60) | ALDH1A1L3MBTL1CYP3A4TDP1POLB | |
| SCHEMBL8292502 | 0.83 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL31189998 | 0.82 | POLB (0.56) | ALDH1A1L3MBTL1CYP3A4NPSR1TDP1 | |
| SCHEMBL27413685 | 0.82 | POLB (0.56) | ALDH1A1L3MBTL1CYP3A4NPSR1TDP1 | |
| SCHEMBL20831012 | 0.82 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL2706430 | 0.82 | NPC1 (0.63) | ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL23812467 | 0.81 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL1649274 | 0.81 | PTGER1 (0.62) | ALDH1A1L3MBTL1CYP3A4CYP1A2CYP2C9 |
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-3099687-B1 | MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-07-04 | — | — | EP | disclosed |
| EP-2272822-A1 | INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1 | Renascience CO., LTD. (JP) | 2011-01-12 | — | — | EP | disclosed |