Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8053886 | 0.84 | NPC1 (0.44) | NPC1RAB9AEPHX2SIGMAR1ALDH1A1 | |
| SCHEMBL2439007 | 0.81 | NPC1 (0.59) | NPC1RAB9AEPHX2ALDH1A1KDM4E | |
| SCHEMBL11880408 | 0.79 | NPC1 (0.57) | NPC1RAB9AEPHX2ALDH1A1KDM4E | |
| SCHEMBL9355594 | 0.78 | NPC1 (0.55) | NPC1RAB9AEPHX2ALDH1A1KDM4E | |
| SCHEMBL9355178 | 0.78 | NPC1 (0.55) | NPC1RAB9AEPHX2ALDH1A1KDM4E | |
| SCHEMBL7390852 | 0.76 | EPHX2 (0.51) | NPC1RAB9AEPHX2SIGMAR1ALDH1A1 | |
| SCHEMBL16178630 | 0.76 | NPC1 (0.54) | NPC1RAB9AEPHX2 | |
| SCHEMBL20348676 | 0.75 | NPC1 (0.52) | NPC1RAB9AEPHX2ALDH1A1KDM4E | |
| SCHEMBL9132554 | 0.74 | NPC1 (0.44) | NPC1RAB9AEPHX2ALDH1A1OPRM1 | |
| SCHEMBL9713086 | 0.74 | SIGMAR1 (0.47) | NPC1RAB9AEPHX2SIGMAR1MEN1 |
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-0758643-B1 | Process for the preparation of ortho-nitro-benzonitriles | CLARIANT GMBH (DE) | 2000-05-17 | — | — | EP | disclosed |
| EP-0758643-A2 | Process for the preparation of ortho-nitro-benzonitriles | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-02-19 | — | — | EP | disclosed |