Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | KIF11 | P52732 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.46 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.42 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | RORB | Q92753 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL18063125 | 0.88 | TSHR (0.64) | TSHRALDH1A1KIF11LMNAKCNN4 | |
| Trifluoromethylbenzene SCHEMBL28919083 | 0.86 | TSHR (0.61) | TSHRALDH1A1KIF11LMNAKCNN4 | |
| Trifluoromethylbenzene SCHEMBL4867878 | 0.86 | TSHR (0.88) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL8692 | 0.86 | TSHR (1.00) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL27760126 | 0.86 | TSHR (1.00) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL175647 | 0.86 | TSHR (1.00) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL6439041 | 0.83 | TSHR (0.82) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL7870246 | 0.83 | TSHR (0.93) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL14121438 | 0.83 | TSHR (0.93) | TSHRALDH1A1KIF11KCNN4TRPV6 | |
| Trifluoromethylbenzene SCHEMBL9482280 | 0.83 | TSHR (0.93) | TSHRALDH1A1KIF11KCNN4TRPV6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9169209-B2 | Compounds and compositions for the inhibition of NAMPT | FORMA TM, LLC (US) | 2015-10-27 | — | — | US | claimed |
| WO-2012150952-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | FORMA TM, LLC (US) | 2012-11-08 | — | — | WO | claimed |
| EP-2580201-B1 | TRANSITION METAL-CATALYZED PROCESSES FOR THE PREPARATION OF N-ALLYL COMPOUNDS AND USE THEREOF | RHODES TECH (US) | 2017-08-02 | — | — | EP | disclosed |
| WO-2012150952-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | FORMA TM, LLC (US) | 2012-11-08 | — | — | WO | disclosed |