Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.67 |
| ▸ | NPC1 | O15118 | 8/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.67 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 3/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10425779 | 0.86 | RAB9A (0.52) | RAB9ANPC1SMN1; SMN2MAPTHSP90AA1 | |
| SCHEMBL7984987 | 0.83 | KDM4E (0.53) | NPC1SMN1; SMN2MAPTMAPK1MMP13 | |
| SCHEMBL3166179 | 0.82 | NPC1 (0.54) | RAB9ANPC1SMN1; SMN2MAPTHSP90AA1 | |
| SCHEMBL15319289 | 0.81 | NPC1 (0.63) | RAB9ANPC1SMN1; SMN2MAPTHSP90AA1 | |
| SCHEMBL2711084 | 0.80 | NPC1 (0.58) | RAB9ANPC1MAPTHSP90AA1MAPK1 | |
| SCHEMBL3594194 | 0.80 | RAB9A (1.00) | RAB9ANPC1SMN1; SMN2MAPTHSP90AA1 | |
| SCHEMBL4835310 | 0.79 | RAB9A (0.57) | RAB9ANPC1SMN1; SMN2MAPTHSP90AA1 | |
| SCHEMBL10918829 | 0.78 | HDAC1 (0.60) | RAB9ANPC1SMN1; SMN2MAPTHSP90AA1 | |
| Hydrochloric Acid SCHEMBL16058108 | 0.78 | RAB9A (0.60) | RAB9ANPC1SMN1; SMN2MAPTHSP90AA1 | |
| SCHEMBL12751707 | 0.78 | LMNA (0.63) | RAB9ANPC1SMN1; SMN2MAPTHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6642388-B1 | Room temperature cyclization of thioamide derivative with bromopyruvate without use of bases or molecular sieves in alcohol | ABBOTT GMBH & CO. KG (DE) | 2003-11-04 | — | — | US | disclosed |
| EP-1196401-A1 | METHOD FOR PRODUCING 2-AMINOMETHYL-4-CYANO-THIAZOL | BASF AKTIENGESELLSCHAFT (DE) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001007425-A1 | METHOD FOR PRODUCING 2-AMINOMETHYL-4-CYANO-THIAZOL | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-01 | — | — | WO | disclosed |