Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8353920 | 0.80 | TSHR (0.44) | TSHRMAPTNPC1RAB9AACHE | |
| SCHEMBL12305719 | 0.79 | SHBG (0.59) | TSHRTDP1KMT2AMEN1LMNA | |
| SCHEMBL8028843 | 0.78 | TAAR1 (0.56) | MAPTLMNACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8351470 | 0.77 | NPC1 (0.45) | TSHRMAPTNPC1RAB9ALMNA | |
| SCHEMBL17346495 | 0.76 | TSHR (0.44) | TSHRMAPTNPC1RAB9AACHE | |
| SCHEMBL8351028 | 0.76 | IRAK4 (0.41) | TSHRMAPTNPC1RAB9AACHE | |
| SCHEMBL14347761 | 0.76 | ALDH1A1 (0.45) | TSHRMAPTNPC1RAB9AACHE | |
| SCHEMBL8350859 | 0.76 | ACACB (0.54) | TSHRMAPTNPC1RAB9ATDP1 | |
| SCHEMBL2230579 | 0.75 | TSHR (0.55) | TSHRMAPTNPC1RAB9AACHE | |
| SCHEMBL8354437 | 0.74 | KIF11 (0.48) | TSHRMAPTNPC1RAB9AACHE |
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 |