Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 2/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17865988 | 0.70 | PARP1 (0.40) | SIGMAR1KCNH2HDAC9ALDH1A1TP53 | |
| SCHEMBL30657026 | 0.69 | KDM1A (0.48) | SIGMAR1SLC18A3MAPK1SMN1; SMN2KDM1A | |
| SCHEMBL1535911 | 0.69 | KDM1A (0.48) | SIGMAR1SLC18A3MAPK1SMN1; SMN2KDM1A | |
| SCHEMBL2731857 | 0.68 | TSHR (0.38) | SIGMAR1SLC18A3MAPK1SMN1; SMN2KDM1A | |
| SCHEMBL10793672 | 0.68 | KDM1A (0.45) | SIGMAR1MAPK1PRCPGRIN2DGRIN3B | |
| Benzene SCHEMBL11415270 | 0.67 | KDM1A (0.47) | SIGMAR1MAPK1SMN1; SMN2KDM1AHDAC9 | |
| SCHEMBL8924636 | 0.67 | KDM1A (0.47) | SIGMAR1SLC18A3MAPK1SMN1; SMN2KDM1A | |
| SCHEMBL1917700 | 0.67 | KDM1A (0.47) | SIGMAR1SLC18A3MAPK1SMN1; SMN2KDM1A | |
| SCHEMBL11401109 | 0.67 | ATM (0.49) | SIGMAR1PRCPGRIN2DGRIN3BCYP2B6 | |
| SCHEMBL23832859 | 0.66 | KDM1A (0.46) | SIGMAR1SLC18A3MAPK1SMN1; SMN2KDM1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011163330-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-12-29 | — | — | WO | disclosed |
| EP-0110521-B1 | PHENYLINDENE DERIVATIVES, ACID ADDITION SALTS THEREOF, AND METHODS OF PREPARATION | KEFALAS A/S (DK) | 1988-10-12 | — | — | EP | disclosed |
| US-4525360-A | Anti-psychotic phenylindene derivatives and acid addition salts thereof | KEFALAS A/S (DK) | 1985-06-25 | — | — | US | disclosed |