Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.54 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7527733 | 0.92 | PARP1 (0.53) | PARP1PARP2ALDH1A1KDM4EMEN1 | |
| SCHEMBL1385121 | 0.88 | PARP1 (0.54) | PARP1PARP2ALDH1A1KDM4EPOLB | |
| SCHEMBL487963 | 0.80 | ALDH1A1 (0.56) | PARP1PARP2ALDH1A1KDM4EPOLB | |
| SCHEMBL18108811 | 0.79 | PARP1 (0.53) | PARP1PARP2ALDH1A1KDM4EMEN1 | |
| SCHEMBL18040375 | 0.78 | PARP1 (0.57) | PARP1PARP2ALDH1A1KDM4EKMT2A | |
| SCHEMBL16462030 | 0.75 | ALDH1A1 (0.51) | PARP1PARP2ALDH1A1KDM4EKMT2A | |
| SCHEMBL1384426 | 0.75 | PARP1 (0.50) | PARP1PARP2ALDH1A1KDM4ESIGMAR1 | |
| SCHEMBL7739805 | 0.75 | ERN1 (0.47) | ALDH1A1KDM4EPOLBSIGMAR1KMT2A | |
| SCHEMBL7737972 | 0.74 | ERN1 (0.49) | ALDH1A1KDM4EPOLBSIGMAR1KMT2A | |
| SCHEMBL2228234 | 0.74 | KDM4E (0.58) | PARP1PARP2ALDH1A1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002020437-A2 | BASIC COMPOUNDS CONTAINING TERTIARY AMIDES WITH ACTIVITY ON TACHYKININ RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MENARINI RICERCHE S.P.A. (IT) | 2002-03-14 | — | — | WO | claimed |
| WO-2002020437-A2 | BASIC COMPOUNDS CONTAINING TERTIARY AMIDES WITH ACTIVITY ON TACHYKININ RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MENARINI RICERCHE S.P.A. (IT) | 2002-03-14 | — | — | WO | disclosed |