Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PRCP | P42785 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14347919 | 0.97 | MEN1 (0.48) | MEN1KMT2ACYP3A4CYP2C19TSHR | |
| SCHEMBL14347908 | 0.94 | MEN1 (0.50) | MEN1KMT2ACYP3A4CYP2C19TSHR | |
| SCHEMBL8351554 | 0.89 | USP2 (0.45) | MEN1KMT2ATSHRALDH1A1POLB | |
| SCHEMBL8353497 | 0.86 | USP2 (0.45) | MEN1KMT2AMAPK1POLBRAB9A | |
| SCHEMBL8351187 | 0.84 | USP2 (0.46) | MEN1KMT2ATSHRALDH1A1POLB | |
| SCHEMBL19242698 | 0.83 | SMN1; SMN2 (0.62) | MEN1KMT2ACYP3A4CYP2C19TSHR | |
| SCHEMBL8351183 | 0.83 | HPGD (0.46) | MEN1KMT2ATSHRALDH1A1POLB | |
| SCHEMBL4211581 | 0.73 | SMN1; SMN2 (0.71) | MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL16523027 | 0.73 | HSD11B1 (0.62) | ALDH1A1SIGMAR1SMN1; SMN2NPC1 | |
| SCHEMBL19242799 | 0.73 | KMT2A (0.62) | MEN1KMT2ACYP3A4CYP2C19TSHR |
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 1 patent. 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 |