Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 2/20 | 0.51 |
| ▸ | GABRD | O14764 | 2/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.51 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.51 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.51 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.51 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.51 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.51 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.51 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.51 |
| ▸ | GABRE | P78334 | 2/20 | 0.51 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.51 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.51 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.51 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.51 |
| ▸ | NOS3 | P29474 | 2/20 | 0.48 |
| ▸ | NOS1 | P29475 | 2/20 | 0.48 |
| ▸ | NOS2 | P35228 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7220004 | 0.81 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL1600717 | 0.80 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL4136212 | 0.79 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL18130725 | 0.79 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL19780075 | 0.76 | NNMT (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL29819513 | 0.74 | ALDH1A1 (0.58) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL19674232 | 0.73 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL23525040 | 0.73 | ALDH1A1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL29760413 | 0.73 | ALDH1A1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL7049170 | 0.73 | ALDH1A1 (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD |
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 6 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 |
| 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 |