Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RORB | Q92753 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | BDKRB1 | P46663 | 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 | |
|---|---|---|---|---|
| SCHEMBL4957779 | 0.80 | PTGS2 (0.57) | RAB9ASMN1; SMN2NPC1KMT2AALDH1A1 | |
| SCHEMBL4958812 | 0.77 | ABL1 (0.40) | RAB9ASMN1; SMN2NPC1KMT2ARORB | |
| SCHEMBL11606099 | 0.76 | RAB9A (0.52) | RAB9ASMN1; SMN2NPC1GRM4KMT2A | |
| SCHEMBL10969548 | 0.73 | RORB (0.60) | SMN1; SMN2KMT2AALDH1A1RORBCES2 | |
| SCHEMBL4963355 | 0.73 | RAB9A (0.42) | RAB9ASMN1; SMN2NPC1KDM4ETDP1 | |
| SCHEMBL9002411 | 0.72 | TRPV1 (0.51) | RAB9ASMN1; SMN2NPC1KMT2AALDH1A1 | |
| SCHEMBL12143400 | 0.72 | KMT2A (0.55) | RAB9ANPC1GRM4KMT2AALDH1A1 | |
| SCHEMBL27967469 | 0.72 | KDM4E (0.52) | SMN1; SMN2KMT2AALDH1A1RORBCES2 | |
| SCHEMBL12843987 | 0.72 | KMT2A (0.50) | RAB9ASMN1; SMN2NPC1KMT2AALDH1A1 | |
| SCHEMBL22209135 | 0.71 | NPC1 (0.72) | RAB9ASMN1; SMN2NPC1GRM4KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1542972-A4 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-01-23 | — | — | EP | disclosed |
| US-20070238735-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITRODMED, INC. (US) | 2007-10-11 | — | — | US | disclosed |
| US-7244753-B2 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-07-17 | — | — | US | disclosed |
| EP-1542972-A2 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-22 | — | — | EP | disclosed |
| US-20040072883-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. | 2004-04-15 | — | — | US | disclosed |
| WO-2004010945-A2 | CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-02-05 | — | — | WO | 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 (2 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-20040072883-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGES2 | RAB9A 3657/4885SMN1; SMN2 2470/4885NPC1 3889/4885 |
| US-20070238735-A1 | Cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGS2, PTGIS, PTGS1 | RAB9A 3565/4885SMN1; SMN2 2950/4885NPC1 3855/4885 |
“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.