Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TACR3 | P29371 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7561449 | 0.87 | ACHE (0.51) | NPC1APPACHEHPGDSMAPT | |
| SCHEMBL7560916 | 0.83 | SMYD3 (0.52) | NPC1RXFP1ACHEKMT2AMAPT | |
| SCHEMBL7560685 | 0.81 | CDC25B (0.52) | NPC1KMT2AHPGDSMAPTALDH1A1 | |
| SCHEMBL7560673 | 0.76 | KDM4E (0.60) | NPC1KMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL24013679 | 0.76 | SLC6A2 (0.49) | NPC1APPACHEKMT2AHPGDS | |
| SCHEMBL7558683 | 0.75 | KDM4E (0.51) | NPC1KMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL7560911 | 0.75 | MTNR1A (0.48) | NPC1ACHEALDH1A1SMN1; SMN2SLC6A2 | |
| SCHEMBL1896425 | 0.73 | KMT2A (0.55) | NPC1ACHEKMT2AMAPTALDH1A1 | |
| SCHEMBL25462523 | 0.73 | KDM4E (0.58) | NPC1KMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL28982954 | 0.70 | RAB9A (0.58) | NPC1ALDH1A1SMN1; SMN2L3MBTL1MTNR1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001051095-A2 | PARAMAGNETIC DOTA DERIVATIVES, PHARMACEUTICAL AGENTS CONTAINING THE SAME, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE FOR THE MR IMAGING OF NECROSIS AND INFARCTION | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-07-19 | — | — | WO | disclosed |