Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 6/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9040587 | 0.95 | AKR1B1 (0.61) | AKR1B1POLBALDH1A1TSHRTDP1 | |
| SCHEMBL9037891 | 0.89 | TSHR (0.59) | AKR1B1POLBALDH1A1TSHRTDP1 | |
| SCHEMBL7254124 | 0.84 | ALDH1A1 (0.43) | AKR1B1POLBALDH1A1TSHRTDP1 | |
| SCHEMBL9039157 | 0.82 | AKR1B1 (0.53) | AKR1B1POLB | |
| SCHEMBL9037851 | 0.78 | AKR1B1 (0.56) | AKR1B1CASP6 | |
| SCHEMBL9038575 | 0.75 | MEN1 (0.42) | AKR1B1POLBALDH1A1TDP1 | |
| SCHEMBL9041593 | 0.74 | PARP1 (0.44) | AKR1B1POLBALDH1A1TSHRTDP1 | |
| SCHEMBL9039730 | 0.72 | KDM1A (0.51) | AKR1B1TSHRTDP1CASP6KDM1A | |
| SCHEMBL1395366 | 0.72 | AKR1B1 (1.00) | AKR1B1TSHRTDP1CASP6 | |
| SCHEMBL11637692 | 0.72 | PDE7A (0.54) | POLBALDH1A1 |
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-0441598-B1 | Spiroisoindole compounds | ZENECA INC (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5098925-A | Neurological disorders in mammals | ICI AMERICAS INC. (US) | 1992-03-24 | — | — | US | disclosed |
| EP-0441598-A2 | Spiroisoindole compounds | ZENECA INC. (US) | 1991-08-14 | — | — | EP | disclosed |