Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6850964 | 0.83 | MEN1 (0.48) | SMN1; SMN2ERBB2KDM4EMAPTMETAP2 | |
| SCHEMBL3755589 | 0.80 | IKBKB (0.41) | IKBKBERBB2KDM4EMETAP2 | |
| SCHEMBL3160320 | 0.80 | MAPK14 (0.42) | NPC1RAB9ASMN1; SMN2ERBB2KDM4E | |
| SCHEMBL13363877 | 0.80 | ERBB2 (0.39) | NPC1RAB9ASMN1; SMN2ERBB2MAPT | |
| SCHEMBL2449809 | 0.79 | ALOX15 (0.48) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL5223142 | 0.78 | MEN1 (0.53) | NPC1RAB9AKDM4EMAPTALDH1A1 | |
| SCHEMBL15186271 | 0.78 | LMNA (0.40) | MAPTALDH1A1MAPK13MAPK12MAPK11 | |
| Hydrochloric Acid SCHEMBL30879670 | 0.77 | MEN1 (0.51) | NPC1RAB9AKDM4EMAPTALDH1A1 | |
| SCHEMBL14572024 | 0.77 | ERBB2 (0.46) | NPC1RAB9ASMN1; SMN2ERBB2KDM4E | |
| SCHEMBL8806952 | 0.76 | MAP2K4 (0.49) | IKBKBCHUKCHEK1 |
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-2922842-A2 | NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A | AbbVie Inc. (US) | 2015-09-30 | — | — | EP | disclosed |
| WO-2014079995-A2 | NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A | ABBVIE INC. (US) | 2014-05-30 | — | — | WO | disclosed |