Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 6/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14435062 | 0.84 | PTGS2 (0.60) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL124130 | 0.84 | PTGS2 (0.58) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL716404 | 0.83 | KMT2A (0.54) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL717946 | 0.81 | PTGS2 (0.55) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL4854411 | 0.78 | PTGS2 (0.63) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL30638265 | 0.77 | KMT2A (0.34) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL5807905 | 0.76 | PTGS2 (0.65) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL29953592 | 0.75 | PTGS2 (0.59) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL14435740 | 0.75 | RAB9A (0.57) | KMT2AALDH1A1SMN1; SMN2MEN1RAB9A | |
| SCHEMBL719535 | 0.75 | PTGS2 (0.63) | PTGS2KMT2AALDH1A1SMN1; SMN2POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007089031-A1 | PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-09 | — | — | WO | disclosed |