Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 2/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 2/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11616547 | 0.90 | KDM4E (0.45) | GAAALOX15TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL11620424 | 0.88 | KDM4E (0.47) | GAAALOX15CYP1A2CYP2D6GFER | |
| SCHEMBL11617455 | 0.88 | KDM4E (0.47) | GAAALOX15CYP1A2CYP2D6GFER | |
| SCHEMBL11620655 | 0.86 | CNR2 (0.46) | — | |
| SCHEMBL11618263 | 0.81 | KDM4E (0.49) | GAAALOX15GFERFAAH | |
| SCHEMBL11616315 | 0.80 | KDM4E (0.51) | GAAALOX15GFER | |
| SCHEMBL11622293 | 0.77 | MOK (0.47) | ALOX15 | |
| SCHEMBL11619402 | 0.76 | ALDH1A1 (0.44) | TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL1601877 | 0.73 | ALDH1A1 (0.53) | TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL11622343 | 0.72 | ALDH1A1 (0.41) | GAACYP1A2CYP2D6TAS1R3TAS1R1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4101671-A | ANTIULCEROGENICS | BOEHRINGER INGELHEIM GMBH (DE) | 1978-07-18 | — | — | US | disclosed |
| US-RE29628-E | ANTIULCER, SECRETOLYTICS, ANTITUSSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1978-05-09 | — | — | US | disclosed |
| US-3950393-A | ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-04-13 | — | — | US | disclosed |