Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | METAP1 | P53582 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Timoprazole SCHEMBL563458 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| Timoprazole SCHEMBL464728 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| Timoprazole SCHEMBL11245124 | 0.99 | CYP1A2 (0.50) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| Timoprazole SCHEMBL9244884 | 0.99 | CYP1A2 (0.50) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL8138606 | 0.86 | CYP1A2 (0.49) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11373497 | 0.85 | KDM4E (0.48) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL27858001 | 0.84 | METAP1 (0.46) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL6872775 | 0.84 | CBFB (0.51) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL6877256 | 0.84 | ALDH1A1 (0.40) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL6440386 | 0.84 | CBFB (0.40) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 |
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-5389664-A | Administering benzimidazole compounds to inhibit at pase activity | MONSANTO COMPANY (US) | 1995-02-14 | — | — | US | disclosed |