Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FSCN1 | Q16658 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 8/20 | 0.40 |
| ▸ | RAB9A | P51151 | 8/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL23505871 | 0.61 | RAB9A (0.61) | NPC1RAB9ATSHRCYP1A2CYP2C9 | |
| SCHEMBL11604194 | 0.57 | RAB9A (0.48) | FSCN1NPC1RAB9ATSHRCYP1A2 | |
| SCHEMBL11606261 | 0.57 | RAB9A (0.53) | FSCN1NPC1RAB9ATSHRCYP1A2 | |
| SCHEMBL20869733 | 0.55 | ALDH1A1 (0.60) | ADORA2BALDH1A1KMT2AHTT | |
| SCHEMBL24166489 | 0.54 | TNF (0.65) | NPC1RAB9ALMNAHPGDSMN1; SMN2 | |
| SCHEMBL9001179 | 0.54 | MAPT (0.59) | FSCN1RAB9ATSHRCYP1A2LMNA | |
| SCHEMBL16120979 | 0.54 | ADORA2B (0.85) | TSHRLMNASMN1; SMN2POLBADORA2B | |
| SCHEMBL4873272 | 0.53 | HDAC6 (0.68) | TSHRSMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL10063284 | 0.53 | — | — | |
| SCHEMBL20552972 | 0.51 | SIGMAR1 (0.59) | NPC1RAB9ATSHRCYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7625907-B2 | Reactive oxygen generating enzyme inhibitor with nitric oxide bioactivity and uses thereof | DUKE UNIVERSITY (US) | 2009-12-01 | — | — | US | disclosed |
| WO-2005105806-A1 | REACTIVE OXYGEN GENERATING ENZYME INHIBITOR WITH NITRIC OXIDE BIOACTIVITY AND USES THEREOF | DUKE UNIVERSITY (US) | 2005-11-10 | — | — | WO | disclosed |