Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | IKBKB | O14920 | 8/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7641018 | 0.89 | ALDH1A1 (0.43) | ALDH1A1IKBKBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7646538 | 0.83 | ALDH1A1 (0.48) | ALDH1A1IKBKBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7643236 | 0.81 | ALDH1A1 (0.49) | ALDH1A1IKBKBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7640473 | 0.81 | ALDH1A1 (0.49) | ALDH1A1IKBKBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7647131 | 0.80 | ALDH1A1 (0.45) | ALDH1A1IKBKBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6913310 | 0.80 | ALDH1A1 (0.45) | ALDH1A1IKBKBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7643249 | 0.78 | ALDH1A1 (0.46) | ALDH1A1IKBKBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7646548 | 0.77 | ALDH1A1 (0.44) | ALDH1A1IKBKBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6908551 | 0.76 | ALDH1A1 (0.41) | ALDH1A1IKBKBCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7640488 | 0.75 | ALDH1A1 (0.46) | ALDH1A1IKBKBCYP1A2CYP3A4CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6432994-B1 | CARDIOVASCULAR DISORDERS, GLAUCOMA; ANTIINFLAMMATORY, WOUND HEALING, HYPOTENSIVE, ANTIASTHMATIC, AND ANTIANAPHYLACTIC AGENTS | TEXAS BIOTECHNOLOGY CORPORATION | 2002-08-13 | — | — | US | disclosed |
| EP-0699191-A1 | SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1996-03-06 | — | — | EP | disclosed |
| WO-1994027979-A1 | SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN | IMMUNOPHARMACEUTICS, INC. (US) | 1994-12-08 | — | — | WO | disclosed |