Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 6/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | XPO1 | O14980 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2221453 | 0.80 | PDE4B (0.42) | PDE4BIDH1XPO1POLBNPC1 | |
| SCHEMBL13273284 | 0.80 | PDE4B (0.50) | PDE4BCYP3A4CYP2C19IDO1LMNA | |
| SCHEMBL2223578 | 0.80 | FYN (0.48) | PDE4BPOLBIDO1LMNAGAA | |
| SCHEMBL2222137 | 0.78 | PDE4B (0.56) | PDE4BPOLBIDO1LMNAGAA | |
| SCHEMBL2609387 | 0.76 | IDO1 (0.44) | PDE4BIDH1XPO1POLBNPC1 | |
| SCHEMBL2220953 | 0.76 | NR1I3 (0.43) | PDE4BTSHRNPC1SMN1; SMN2IDO1 | |
| SCHEMBL2427261 | 0.76 | PNMT (0.69) | CYP3A4TSHRRECQLPNMTNPC1 | |
| SCHEMBL2616114 | 0.74 | IDO1 (0.47) | POLBNPC1RAB9ASMN1; SMN2IDO1 | |
| SCHEMBL2220568 | 0.73 | PDE4B (0.42) | PDE4BCYP3A4TSHRNPC1SMN1; SMN2 | |
| SCHEMBL2221994 | 0.73 | CLK4 (0.54) | CYP3A4CYP2C19TSHRRECQLNPC1 |
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-2515657-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |