Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14638947 | 0.93 | BRD4 (0.54) | LMNACYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL27749593 | 0.90 | MEN1 (0.45) | LMNACYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL5797625 | 0.82 | RAB9A (0.63) | LMNATSHRNPC1RAB9AL3MBTL1 | |
| SCHEMBL12563933 | 0.81 | NR1H2 (0.52) | LMNACYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL2306434 | 0.80 | BRD4 (0.51) | LMNABRD4ATAD2NPC1RAB9A | |
| SCHEMBL29963540 | 0.80 | BRD4 (0.51) | LMNABRD4ATAD2NPC1RAB9A | |
| SCHEMBL27559025 | 0.80 | BRD4 (0.55) | TSHRBRD4ATAD2ALDH1A1NOTUM | |
| SCHEMBL3653540 | 0.79 | NR1H2 (0.56) | LMNACYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL8440118 | 0.79 | NR1H2 (0.62) | LMNACYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL8127939 | 0.78 | MAPT (0.54) | TSHRBRD4ATAD2NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104744461-A | Lactam-containing compounds and derivatives thereof as factor Xa inhibitors | BRISTOL MYERS SQUIBB CO | 2015-07-01 | — | — | CN | disclosed |
| CN-102617567-A | Lactam-containing compounds and derivatives thereof as factor Xa inhibitors | BRISTOL MYERS SQUIBB CO | 2012-08-01 | — | — | CN | disclosed |
| CN-101357914-A | Lactam-containing compounds and derivatives thereof as factor xa inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-02-04 | — | — | CN | disclosed |