Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| 1,4-Dichlorobenzene SCHEMBL27657139 | 0.59 | TSHR (0.54) | TSHRMAPTLMNACES2CES1 | |
| SCHEMBL17772002 | 0.58 | SLC9A1 (0.45) | MAPK1KMT2AMAPTLMNAGAA | |
| SCHEMBL10491406 | 0.57 | SLC9A1 (0.44) | MAPK1KMT2AMAPTLMNAGAA | |
| Bicarbonate SCHEMBL10971534 | 0.57 | MAPK1 (0.50) | MAPK1TSHRKMT2AMAPTLMNA | |
| SCHEMBL20076696 | 0.57 | GAA (0.44) | MAPK1KMT2AMAPTLMNAGAA | |
| SCHEMBL10743257 | 0.57 | SLC9A1 (0.46) | MAPK1TSHRKMT2AMAPTGAA | |
| SCHEMBL10743245 | 0.57 | SLC9A1 (0.46) | MAPK1TSHRKMT2AMAPTGAA | |
| SCHEMBL11395709 | 0.57 | SLC9A1 (0.44) | MAPK1KMT2AMAPTLMNAGAA | |
| SCHEMBL10743254 | 0.57 | SLC9A1 (0.46) | MAPK1TSHRKMT2AMAPTGAA | |
| SCHEMBL3520379 | 0.56 | HSD11B1 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1412347-B1 | PROCESS FOR THE PREPARATION OF HETEROCYCLIC PENTALENE DERIVATIVES | BASELL POLYOLEFINE GMBH (DE) | 2006-01-11 | — | — | EP | disclosed |
| US-6930190-B2 | Process for the preparation of heterocyclic pentalene derivatives | BASELL POLYOLEFINE GMBH (DE) | 2005-08-16 | — | — | US | disclosed |
| EP-1412347-A1 | PROCESS FOR THE PREPARATION OF HETEROCYCLIC PENTALENE DERIVATIVES | Basell Polyolefine GmbH (DE) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003014107-A1 | PROCESS FOR THE PREPARATION OF HETEROCYCLIC PENTALENE DERIVATIVES | BASELL POLYOLEFINE GMBH (DE) | 2003-02-20 | — | — | WO | disclosed |