Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTR1E | P28566 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3237033 | 0.93 | TSHR (0.44) | TSHRCES1NPC1RAB9ACA1 | |
| SCHEMBL16423195 | 0.89 | L3MBTL1 (0.47) | TSHRTDP1ALDH1A1MAPTLMNA | |
| SCHEMBL2817503 | 0.81 | MAOA (0.52) | TSHRCA1CA2LOXL2ALDH1A1 | |
| SCHEMBL14176144 | 0.81 | ATM (0.49) | TSHRCA1CA2LOXL2ALDH1A1 | |
| SCHEMBL20476006 | 0.80 | TSHR (0.47) | TSHRCES1CA1CA2LOXL2 | |
| SCHEMBL2817383 | 0.76 | NPC1 (0.50) | TSHRNPC1TDP1ALDH1A1MAPT | |
| SCHEMBL3229047 | 0.75 | NPC1 (0.40) | TSHRNPC1RAB9ALOXL2ALDH1A1 | |
| SCHEMBL1769357 | 0.74 | SLC6A2 (0.46) | LOXL2ALDH1A1ACHEMAPTHTR1E | |
| SCHEMBL1769275 | 0.74 | POLB (0.39) | TSHRCA1CA2ALDH1A1ACHE | |
| SCHEMBL6612675 | 0.74 | ALDH1A1 (0.44) | TSHRCA1CA2ALDH1A1MAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011061760-A1 | NOVEL ANTITHROMBOTIC AGENTS | CADILA HEALTHCARE LIMITED (IN) | 2011-05-26 | — | — | WO | disclosed |
| WO-2011061760-A1 | NOVEL ANTITHROMBOTIC AGENTS | CADILA HEALTHCARE LIMITED (IN) | 2011-05-26 | — | — | WO | disclosed |
| US-7381732-B2 | Pyrazolobenzamides and derivatives as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-06-03 | — | — | US | disclosed |
| US-7312214-B2 | 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-25 | — | — | US | disclosed |
| US-7250415-B2 | 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-31 | — | — | US | disclosed |
| WO-2005034837-A2 | 7H-IMIDAZO [1,2-α] PYRAZIN-8-ONE COMPOUNDS AS ION CHANNEL MODULATORS | CARDIOME PHARMA CORPORATION (US) | 2005-04-21 | — | — | WO | disclosed |