Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL255675 | 0.85 | ACACB (0.54) | ACACBMTNR1AMTNR1B | |
| SCHEMBL255667 | 0.84 | ACACB (0.52) | ACACBNPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL8499984 | 0.83 | ACACB (0.51) | ACACBMTNR1AMTNR1B | |
| SCHEMBL14347853 | 0.82 | RAB9A (0.45) | ACACBNPC1RAB9AMAPTTDP1 | |
| SCHEMBL8351470 | 0.82 | NPC1 (0.45) | ACACBNPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL12765005 | 0.82 | NPC1 (0.45) | ACACBNPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL8352141 | 0.82 | NPC1 (0.45) | ACACBNPC1RAB9AMAPTTDP1 | |
| SCHEMBL10575510 | 0.82 | NR1H4 (0.52) | ACACBRAB9AMAPTTDP1SMN1; SMN2 | |
| SCHEMBL8351164 | 0.81 | NPC1 (0.44) | ACACBNPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL256227 | 0.80 | ACACB (0.59) | ACACB |
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 |
|---|---|---|---|---|---|---|---|
| US-7312214-B2 | 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-25 | — | — | US | disclosed |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |