Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 5/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7809704 | 0.81 | MAPK1 (0.38) | SIGMAR1DRD2MAPK1KMT2ADRD4 | |
| SCHEMBL7817126 | 0.76 | NOTUM (0.40) | SIGMAR1MAPK1MEN1KMT2A | |
| SCHEMBL7804295 | 0.70 | HTR2A (0.37) | SIGMAR1HTR2AHTR2CMEN1 | |
| Iodide SCHEMBL7813387 | 0.68 | SIGMAR1 (0.31) | SIGMAR1 | |
| SCHEMBL1076822 | 0.66 | SIGMAR1 (0.53) | SIGMAR1DRD2HTR2ANAMPTHTR1A | |
| SCHEMBL7867627 | 0.66 | SIGMAR1 (0.42) | SIGMAR1DRD2HTR2AHTR1AHTT | |
| SCHEMBL8542310 | 0.66 | DRD2 (0.43) | SIGMAR1DRD2HTR2AHTR1AHTT | |
| SCHEMBL831288 | 0.65 | CYP3A4 (0.53) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12798134 | 0.65 | SIGMAR1 (0.55) | SIGMAR1DRD2HTR2ANAMPTHTR1A | |
| SCHEMBL29760370 | 0.64 | SIGMAR1 (0.55) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733043-B1 | TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING CORP (US) | 2001-06-20 | — | — | EP | disclosed |
| US-5464840-A | Pharmaceuticals to inhibit tumor necrosis factor-alpha and to treat septic shock, inflammation and allergic disease | SCHERING CORPORATION (US) | 1995-11-07 | — | — | US | disclosed |
| WO-1995015949-A1 | TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING CORPORATION (US) | 1995-06-15 | — | — | WO | disclosed |