Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GHSR | Q92847 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12457263 | 0.95 | TSHR (0.54) | TSHRMAPK1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL463035 | 0.93 | TSHR (0.57) | TSHRMAPK1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL459959 | 0.92 | TSHR (0.53) | TSHRMAPK1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL458697 | 0.91 | TSHR (0.55) | TSHRMAPK1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL457864 | 0.91 | TSHR (0.55) | TSHRMAPK1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL470205 | 0.90 | TSHR (0.54) | TSHRMAPK1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL457357 | 0.89 | TSHR (0.53) | TSHRMAPK1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL10087680 | 0.89 | TSHR (0.53) | TSHRMAPK1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL12457262 | 0.89 | TSHR (0.54) | TSHRMAPK1LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL10087686 | 0.88 | TSHR (0.56) | TSHRMAPK1LMNASMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2614052-B1 | NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL MYERS SQUIBB CO (US) | 2014-12-31 | — | — | EP | disclosed |
| WO-2012033736-A1 | NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |