Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR4 | O95977 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4713894 | 0.96 | S1PR4 (0.40) | S1PR4NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL3158102 | 0.95 | NPC1 (0.40) | S1PR4NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL8560840 | 0.78 | KMT2A (0.46) | S1PR4NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL5659597 | 0.74 | ALDH1A1 (0.50) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL27744819 | 0.71 | NPC1 (0.40) | S1PR4NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL3167072 | 0.70 | KMT2A (0.41) | S1PR4NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL27873051 | 0.70 | KMT2A (0.41) | S1PR4NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL29903448 | 0.70 | KMT2A (0.41) | S1PR4NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL540885 | 0.70 | ALDH1A1 (0.52) | S1PR4NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL8603295 | 0.70 | NPC1 (0.39) | S1PR4NPC1RAB9AKMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1641423-A4 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-09-10 | — | — | EP | disclosed |
| EP-1641423-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005013894-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-02-17 | — | — | WO | disclosed |