Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6775236 | 0.83 | PTGS2 (0.54) | PTGS2PTGDR2HPRT1POLBRAB9A | |
| SCHEMBL20850854 | 0.77 | TSHR (0.44) | POLBALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL27756342 | 0.74 | MYC (0.54) | PTGS2PTGDR2HPRT1POLBRAB9A | |
| SCHEMBL7137309 | 0.71 | ERN1 (0.52) | PTGS2PTGDR2POLBRAB9AELANE | |
| SCHEMBL17199072 | 0.70 | ALDH1A1 (0.58) | POLBALDH1A1TDP1NFE2L2L3MBTL1 | |
| SCHEMBL629839 | 0.70 | PTGS2 (0.59) | PTGS2PTGDR2HPRT1POLBRAB9A | |
| SCHEMBL22678460 | 0.70 | ALDH1A1 (0.56) | PTGS2PTGDR2HPRT1POLBRAB9A | |
| SCHEMBL1457013 | 0.70 | ALDH1A1 (0.50) | PTGS2PTGDR2HPRT1POLBRAB9A | |
| SCHEMBL2437022 | 0.70 | CRHBP (0.55) | PTGS2PTGDR2POLBRAB9AALDH1A1 | |
| SCHEMBL6548162 | 0.70 | PDCD1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2915804-B1 | NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS | FUJIFILM TOYAMA CHEMICAL CO LTD (JP) | 2019-03-27 | — | — | EP | disclosed |