Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 7/20 | 0.33 |
| ▸ | RAB9A | P51151 | 7/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | CASP3 | P42574 | 5/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 5/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31228747 | 0.69 | PTPN1 (0.58) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL6954756 | 0.69 | PTPN1 (0.58) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL6246004 | 0.68 | — | — | |
| SCHEMBL6037520 | 0.67 | RAB9A (0.67) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL8772217 | 0.67 | POLB (0.54) | NPC1RAB9ASMN1; SMN2PKMMEN1 | |
| SCHEMBL18993451 | 0.67 | NPC1 (0.43) | TAS2R8NPC1RAB9ASMN1; SMN2PKM | |
| SCHEMBL6037515 | 0.67 | NPC1 (0.43) | TAS2R8NPC1RAB9ASMN1; SMN2PKM | |
| SCHEMBL16416801 | 0.67 | KDM4E (0.67) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL6224947 | 0.66 | — | — | |
| SCHEMBL1072537 | 0.66 | — | — |
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-2004623-A1 | PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS | Nerviano Medical Sciences S.r.l. (IT) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007110344-A1 | PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2007-10-04 | — | — | WO | disclosed |