Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4160188 | 0.98 | ACACB (0.38) | ACACBACACATSHRACLYALDH1A1 | |
| SCHEMBL1116222 | 0.81 | CA2 (0.48) | ACACBACACATSHRALDH1A1CA2 | |
| SCHEMBL5819051 | 0.81 | — | — | |
| SCHEMBL4611420 | 0.76 | ACACB (0.36) | ACACBACACATSHRACLYALDH1A1 | |
| SCHEMBL28964266 | 0.76 | ACACB (0.45) | ACACBACACATSHRACLYALDH1A1 | |
| SCHEMBL27998415 | 0.76 | GSTK1 (0.47) | ACACBACACATSHRALDH1A1 | |
| SCHEMBL28065497 | 0.75 | ACACB (0.39) | ACACBACACATSHRACLYALDH1A1 | |
| SCHEMBL27601822 | 0.74 | GGT1 (0.42) | TSHRALDH1A1CA2MAPK1CYP2D6 | |
| SCHEMBL264732 | 0.74 | GGT1 (0.42) | TSHRALDH1A1CA2MAPK1CYP2D6 | |
| SCHEMBL10830603 | 0.74 | CA2 (0.50) | ACACBACACATSHRACLYCA2 |
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-5117022-A | Antitumor | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1992-05-26 | — | — | US | disclosed |
| WO-1990002131-A1 | HYDROPHOBIC CIS-PLATINUM COMPLEXES EFFICIENTLY INCORPORATED INTO LIPOSOMES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1990-03-08 | — | — | WO | disclosed |