Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.48 |
| ▸ | ADAM17 | P78536 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3852581 | 1.00 | RAB9A (0.55) | RAB9ANPC1NOD2HTTALDH1A1 | |
| SCHEMBL3854364 | 0.86 | TP53 (0.57) | ALDH1A1MAPTGAARECQLADAM17 | |
| SCHEMBL3854357 | 0.86 | TP53 (0.57) | ALDH1A1MAPTGAARECQLADAM17 | |
| SCHEMBL3858482 | 0.83 | TP53 (0.53) | ALDH1A1MAPTGAAADAM17KMT2A | |
| SCHEMBL3858488 | 0.83 | TP53 (0.53) | ALDH1A1MAPTGAAADAM17KMT2A | |
| SCHEMBL3858721 | 0.82 | ADAM17 (0.58) | ALDH1A1CYP19A1ADAM17KMT2A | |
| SCHEMBL3857506 | 0.82 | ADAM17 (0.58) | ALDH1A1CYP19A1ADAM17KMT2A | |
| SCHEMBL3848098 | 0.82 | ALDH1A1 (0.53) | HTTALDH1A1SMN1; SMN2TDP1L3MBTL1 | |
| SCHEMBL3848103 | 0.82 | ALDH1A1 (0.53) | HTTALDH1A1SMN1; SMN2TDP1L3MBTL1 | |
| SCHEMBL3850014 | 0.81 | ADAM17 (0.61) | ALDH1A1SMN1; SMN2MAPTGAAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7576222-B2 | N-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-1-(2-fluorobenzyl)-5-methoxy-2-methyltryptophan; for treatment of rheumatoid arthritis, juvenile rheumatoid arthritis, ulcerative colitis, or Crohn's disease | WYETH (US) | 2009-08-18 | — | — | US | disclosed |
| US-20060160884-A1 | Alkynyl-containing tryptophan derivative inhibitors of tace/matrix metalloproteinase | WYETH (US) | 2006-07-20 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060160884-A1 | Alkynyl-containing tryptophan derivative inhibitors of tace/matrix metalloproteinase | ADAM17, TPSAB1, ADAM10 | RAB9A 1565/4885NPC1 1360/4885NOD2 793/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.