Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20135317 | 0.83 | CA1 (0.53) | HPGDALDH1A1TSHRCA1CA2 | |
| SCHEMBL20135128 | 0.81 | CA1 (0.55) | HPGDALDH1A1ALOX15TSHRMGLL | |
| SCHEMBL10574205 | 0.80 | HPGD (0.49) | HPGDCES2CES1ALOX15TSHR | |
| SCHEMBL9719573 | 0.76 | CES2 (0.46) | HPGDCES2CES1ALDH1A1ALOX15 | |
| SCHEMBL10384839 | 0.75 | CES2 (0.50) | HPGDCES2CES1ALDH1A1CA1 | |
| SCHEMBL9628068 | 0.75 | CES2 (0.48) | HPGDCES2CES1ALDH1A1ALOX15 | |
| SCHEMBL10384827 | 0.73 | ALDH1A1 (0.43) | HPGDCES2CES1ALDH1A1TSHR | |
| SCHEMBL10600379 | 0.73 | MAPT (0.38) | HPGDALDH1A1POLBTP53MAPT | |
| SCHEMBL18338013 | 0.72 | CES2 (0.50) | HPGDCES2CES1ALDH1A1ALOX15 | |
| SCHEMBL9064764 | 0.71 | CES2 (0.48) | HPGDCES2CES1ALDH1A1ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5140035-A | FUNGICIDAL TRIAZOLYMETHYL-CYCLOPROPYL DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-18 | — | — | US | disclosed |
| EP-0438686-A2 | Triazolylmethyl-cyclopropyl derivatives | BAYER AG (DE) | 1991-07-31 | — | — | EP | disclosed |