Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | CPA1 | P15085 | 1/20 | 0.36 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18649070 | 0.85 | IDO1 (0.44) | IDO1AGXTRIPK1PKMKDM4E | |
| SCHEMBL15319375 | 0.85 | GRIN2B (0.37) | PKMMAOBHTR2A | |
| SCHEMBL25176362 | 0.83 | IDO1 (0.47) | IDO1AGXTRIPK1KDM4EMAOB | |
| SCHEMBL19831725 | 0.82 | IDO1 (0.46) | IDO1AGXTRIPK1PKMKDM4E | |
| SCHEMBL28762819 | 0.82 | IDO1 (0.46) | IDO1AGXTRIPK1KDM4EMAOB | |
| SCHEMBL24710052 | 0.82 | IDO1 (0.46) | IDO1AGXTRIPK1KDM4EMAOB | |
| SCHEMBL18861095 | 0.82 | IDO1 (0.48) | IDO1AGXTRIPK1KDM4EMAOB | |
| SCHEMBL4993183 | 0.80 | IDO1 (0.41) | IDO1AGXTRIPK1PKMKDM4E | |
| SCHEMBL4993190 | 0.80 | IDO1 (0.41) | IDO1AGXTRIPK1PKMKDM4E | |
| SCHEMBL3904974 | 0.79 | IDO1 (0.43) | IDO1AGXTRIPK1KDM4EMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0321211-A1 | Antifungal carbinols | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-06-21 | — | — | EP | claimed |
| EP-0321211-A1 | Antifungal carbinols | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-06-21 | — | — | EP | disclosed |