Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11112674 | 0.88 | CYP1A2 (0.47) | CYP1A2IDO1ALDH1A1TSHRHTT | |
| SCHEMBL11112200 | 0.87 | CYP1A2 (0.45) | CYP1A2IDO1ALDH1A1TSHRHTT | |
| SCHEMBL11102490 | 0.86 | CYP1A2 (0.51) | CYP1A2IDO1ALDH1A1POLBKDM4E | |
| SCHEMBL11106274 | 0.86 | MAPT (0.50) | CYP1A2IDO1ALDH1A1TSHRHTT | |
| SCHEMBL11101724 | 0.86 | CYP1A2 (0.44) | CYP1A2IDO1ALDH1A1TSHRHTT | |
| SCHEMBL11105795 | 0.85 | ATM (0.51) | CYP1A2IDO1ALDH1A1TSHRHTT | |
| SCHEMBL11105058 | 0.83 | CYP1A2 (0.42) | CYP1A2IDO1ALDH1A1TSHRHTT | |
| SCHEMBL11107922 | 0.82 | MAPT (0.43) | CYP1A2IDO1ALDH1A1HTTMAPT | |
| SCHEMBL11102796 | 0.81 | ALDH1A1 (0.54) | CYP1A2ALDH1A1TSHRMAPTPOLB | |
| SCHEMBL9528244 | 0.79 | CYP1A2 (0.57) | CYP1A2IDO1ALDH1A1TSHRHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4463001-A | ANTIULCER AGENTS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1984-07-31 | — | — | US | disclosed |