Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL560202 | 0.93 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1IDO1AGXT | |
| SCHEMBL9467502 | 0.79 | TAAR1 (0.50) | CYP1A2TAAR1IDO1RAB9AAGXT | |
| SCHEMBL9023183 | 0.73 | IDO1 (0.46) | CYP1A2CYP2A6TAAR1IDO1S1PR1 | |
| SCHEMBL558967 | 0.73 | TAAR1 (0.48) | CYP1A2CYP2A6TAAR1IDO1TDP1 | |
| SCHEMBL25449537 | 0.72 | LTA4H (0.52) | CYP1A2CYP2A6TAAR1IDO1RAB9A | |
| SCHEMBL1741096 | 0.72 | LTA4H (0.52) | CYP1A2CYP2A6TAAR1IDO1RAB9A | |
| SCHEMBL19263826 | 0.72 | CYP1A2 (0.59) | CYP1A2CYP2A6TAAR1IDO1BACE1 | |
| SCHEMBL18661495 | 0.71 | ACHE (0.73) | IDO1ACHETDP1ALDH1A1LMNA | |
| SCHEMBL3287696 | 0.71 | ACHE (0.73) | IDO1ACHETDP1ALDH1A1LMNA | |
| SCHEMBL197731 | 0.71 | ACHE (0.73) | IDO1ACHETDP1ALDH1A1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6331637-B1 | N-Alkyl, N-Alkenyl, N-Alkynyl, N-Aryl and N-fused bicyclo or tricyclo thienyl-, furyl-,and Pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin | TEXAS BIOTECHNOLOGY CORPORATION | 2001-12-18 | — | — | US | disclosed |