Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 8/20 | 0.68 |
| ▸ | NOS3 | P29474 | 7/20 | 0.68 |
| ▸ | NOS1 | P29475 | 4/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | F12 | P00748 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31214416 | 1.00 | NOS2 (0.68) | NOS2NOS3NOS1CCR1CCR5 | |
| SCHEMBL30664052 | 0.81 | NOS2 (1.00) | NOS2NOS3NOS1CCR1CCR5 | |
| SCHEMBL11743612 | 0.81 | NOS2 (1.00) | NOS2NOS3NOS1CCR1CCR5 | |
| Hydrochloric Acid SCHEMBL7048556 | 0.79 | NOS2 (0.96) | NOS2NOS3NOS1CCR1CCR5 | |
| SCHEMBL31214585 | 0.79 | NOS2 (0.68) | NOS2NOS3NOS1CCR1CCR5 | |
| SCHEMBL305502 | 0.78 | NOS2 (0.45) | NOS2NOS3CCR1CCR5CCR8 | |
| SCHEMBL31150926 | 0.78 | NOS2 (0.45) | NOS2NOS3CCR1CCR5CCR8 | |
| SCHEMBL30154750 | 0.78 | NOS2 (1.00) | NOS2NOS3NOS1CCR1CCR5 | |
| SCHEMBL21543718 | 0.78 | NOS2 (1.00) | NOS2NOS3NOS1CCR1CCR5 | |
| SCHEMBL23857046 | 0.77 | NOS2 (0.44) | NOS2NOS3CCR1CCR5CCR8 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003013523-A1 | SH3 PROTEIN DOMAINS AND THEIR LIGANDS | ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) | 2003-02-20 | — | — | WO | claimed |
| US-5972975-A | Substituted 2-aminopyridines as inhibitors of nitric oxide synthase | MERCK & CO., INC. (US) | 1999-10-26 | — | — | US | claimed |
| WO-1996018616-A1 | SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-06-20 | — | — | WO | claimed |
| CN-109641895-B | Indole compounds substituted with [1, 2, 4] triazolo [1, 5-a ] pyridyl | 百时美施贵宝公司 | 2021-09-03 | — | — | CN | disclosed |
| WO-2003013523-A1 | SH3 PROTEIN DOMAINS AND THEIR LIGANDS | ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) | 2003-02-20 | — | — | WO | disclosed |
| US-5972975-A | Substituted 2-aminopyridines as inhibitors of nitric oxide synthase | MERCK & CO., INC. (US) | 1999-10-26 | — | — | US | disclosed |
| WO-1996018616-A1 | SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-06-20 | — | — | WO | disclosed |