Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GRK2 | P25098 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL4619940 | 0.87 | CHRNB4 (0.41) | ALDH1A1NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL2208848 | 0.86 | ALDH1A1 (0.48) | NPSR1ALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL2211286 | 0.81 | VCP (0.45) | NPSR1ALDH1A1TSHRHPGDMAPK10 | |
| SCHEMBL4351553 | 0.77 | HTT (0.41) | NPSR1ALDH1A1TSHRHPGDMAPK10 | |
| SCHEMBL15855842 | 0.75 | NPC1 (0.51) | NPSR1ALDH1A1TSHRHPGDNPC1 | |
| SCHEMBL4619812 | 0.75 | ALDH1A1 (0.32) | ALDH1A1HSD17B10GAAKDM4EPOLB | |
| SCHEMBL2208887 | 0.75 | CHRNB4 (0.45) | ALDH1A1TSHRHPGDMAPK10NPC1 | |
| SCHEMBL5014474 | 0.73 | TDP1 (0.47) | ALDH1A1MAPK10NPC1RAB9AHTT | |
| SCHEMBL5124433 | 0.73 | SMN1; SMN2 (0.61) | ALDH1A1HSD17B10TSHRNPC1RAB9A | |
| SCHEMBL4620562 | 0.72 | CHRNB4 (0.44) | ALDH1A1HTTCYP2C19CYP1A2POLB |
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-1888542-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006136245-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2006-12-28 | — | — | WO | disclosed |