Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9030622 | 0.87 | PTGS2 (0.74) | PTGS2ABCB11ALDH1A1LMNACYP1A2 | |
| Perchlorate SCHEMBL10997108 | 0.81 | AKR1C3 (0.39) | PTGS2ABCB11ALDH1A1LMNACYP1A2 | |
| SCHEMBL7674536 | 0.78 | PTGS2 (0.57) | PTGS2ABCB11ALDH1A1LMNACYP1A2 | |
| SCHEMBL4601841 | 0.77 | CXCL8 (0.55) | PTGS2ALDH1A1LMNAALOX15NPSR1 | |
| SCHEMBL11810694 | 0.77 | ABCB11 (0.51) | PTGS2ABCB11ALDH1A1LMNACYP1A2 | |
| SCHEMBL11190775 | 0.77 | ALDH1A1 (0.42) | PTGS2ABCB11ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL11001456 | 0.76 | ABCB11 (0.45) | PTGS2ABCB11ALDH1A1LMNACYP1A2 | |
| SCHEMBL10904870 | 0.76 | PTGS2 (0.65) | PTGS2ABCB11ALDH1A1LMNACYP1A2 | |
| SCHEMBL7676885 | 0.76 | PTGS2 (0.55) | PTGS2ABCB11ALDH1A1LMNACYP1A2 | |
| SCHEMBL11500022 | 0.76 | PTGS2 (0.69) | PTGS2ABCB11ALDH1A1LMNACYP1A2 |
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-0906279-B1 | PYRROLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2002-10-02 | — | — | EP | disclosed |
| US-6136844-A | ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASE | SYNTEX (U.S.A.) INC. (US) | 2000-10-24 | — | — | US | disclosed |
| US-6127402-A | AN INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE AND ARE ANTI-INFLAMMATORY AND ANALGESIC AGENTS | SYNTEX (U.S.A.) INC. (US) | 2000-10-03 | — | — | US | disclosed |
| US-5952368-A | AN INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE, ANTIINFLAMMATORY AND ANALGESIC AGENTS | SYNTEX (U.S.A.) INC. (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0906279-A1 | NOVEL PYRROLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997046524-A1 | NOVEL PYRROLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-12-11 | — | — | WO | disclosed |