Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.76 |
| ▸ | CES2 | O00748 | 1/20 | 0.69 |
| ▸ | CES1 | P23141 | 1/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 5/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.61 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.61 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL54610 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL30780024 | 0.86 | ALDH1A1 (1.00) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL9452381 | 0.85 | ALDH1A1 (0.71) | ALDH1A1CES2CES1TP53TSHR | |
| Hydrochloric Acid SCHEMBL27577695 | 0.85 | ALDH1A1 (0.96) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL2892439 | 0.85 | ALDH1A1 (0.71) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL28879995 | 0.85 | ALDH1A1 (0.71) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL28042240 | 0.85 | ALDH1A1 (0.96) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL4092998 | 0.83 | CES2 (0.74) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL13841256 | 0.83 | ALDH1A1 (0.69) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL38656427 | 0.83 | ALDH1A1 (0.68) | ALDH1A1CES2CES1TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| EP-1173213-A1 | COMPOSITIONS CONTAINING BENZIMIDAZOLONES AND PROGESTOGENS | American Home Products Corporation (US) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000066168-A1 | COMPOSITIONS CONTAINING BENZIMIDAZOLONES AND PROGESTOGENS | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-11-09 | — | — | WO | disclosed |