Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6573590 | 0.81 | IDO1 (0.38) | IDO1PNMTCYP2A13TAAR1NPC1 | |
| SCHEMBL31142998 | 0.81 | IDO1 (0.38) | IDO1PNMTCYP2A13TAAR1NPC1 | |
| SCHEMBL9683385 | 0.78 | ALDH1A1 (0.40) | IDO1PNMTCYP2A13TAAR1ALDH1A1 | |
| SCHEMBL29290780 | 0.70 | IDO1 (0.41) | IDO1PNMTCYP2A13TAAR1NPC1 | |
| SCHEMBL17740237 | 0.68 | ALDH1A1 (0.40) | IDO1PNMTTAAR1NPC1RAB9A | |
| SCHEMBL9353042 | 0.68 | KCNH2 (0.39) | IDO1PNMTCYP2A13TAAR1NPC1 | |
| SCHEMBL8021114 | 0.68 | IDO1 (0.38) | IDO1PNMTCYP2A13TAAR1NPC1 | |
| SCHEMBL1824822 | 0.67 | MAOA (0.52) | IDO1PNMTTAAR1NPC1RAB9A | |
| SCHEMBL22371807 | 0.67 | TAAR1 (0.36) | IDO1CYP2A13TAAR1ALDH1A1MEN1 | |
| SCHEMBL376355 | 0.65 | ALDH1A1 (0.42) | IDO1PNMTCYP2A13NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5530149-A | Azolylmethyl-fluorocyclopropyl derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1996-06-25 | — | — | US | disclosed |
| US-5462955-A | Azolylmethyl-fluorocyclopropyl derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1995-10-31 | — | — | US | disclosed |
| EP-0564810-B1 | Fungicidal azolylmethyl-fluorocyclopropyl derivatives | BAYER AG (DE) | 1994-11-02 | — | — | EP | disclosed |
| EP-0564810-A1 | Fungicidal azolylmethyl-fluorocyclopropyl derivatives | BAYER AG (DE) | 1993-10-13 | — | — | EP | disclosed |