Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 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 | |
|---|---|---|---|---|
| SCHEMBL28400893 | 0.87 | ALDH1A1 (0.51) | ALDH1A1TSHRHPGDARHTT | |
| SCHEMBL28201014 | 0.81 | CYP1A2 (0.50) | ALDH1A1TSHRHPGDRAB9ASMN1; SMN2 | |
| SCHEMBL301933 | 0.80 | ALDH1A1 (0.69) | ALDH1A1TSHRHPGDARHTT | |
| Ammonia Solution, Strong SCHEMBL10338964 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRHPGDARHTT | |
| SCHEMBL5425469 | 0.76 | AR (0.50) | ALDH1A1TSHRHPGDARHTT | |
| SCHEMBL28001560 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TSHRHPGDARHTT | |
| SCHEMBL7626565 | 0.74 | ALDH1A1 (0.49) | ALDH1A1TSHRHPGDARHTT | |
| SCHEMBL4690719 | 0.74 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDARHTT | |
| SCHEMBL3202573 | 0.73 | ALDH1A1 (0.72) | ALDH1A1TSHRHPGDHTTL3MBTL1 | |
| SCHEMBL10956103 | 0.73 | ADRA2A (0.52) | ALDH1A1TSHRHPGDARL3MBTL1 |
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 7 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 |
| EP-0001585-A1 | Piperazino-pyrrolobenzodiazepines, methods for their preparation and pharmaceutical compositions containing them | CIBA-GEIGY AG (CH) | 1979-05-02 | — | — | EP | disclosed |