Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.65 |
| ▸ | KMO | O15229 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4274420 | 0.91 | PARP1 (0.72) | PARP1KMOTSHRALDH1A1KDM4E | |
| Phenol SCHEMBL28650467 | 0.86 | PARP1 (0.62) | PARP1KMOTSHRALDH1A1KDM4E | |
| SCHEMBL4079910 | 0.80 | PARP1 (0.58) | PARP1KMOTSHRALDH1A1KDM4E | |
| SCHEMBL30004753 | 0.79 | PARP1 (1.00) | PARP1TSHRHSD17B10KDM1AMAOA | |
| SCHEMBL14997104 | 0.79 | PARP1 (0.56) | PARP1KMOTSHRALDH1A1KDM4E | |
| SCHEMBL7999629 | 0.78 | PARP1 (0.55) | PARP1KMOTSHRALDH1A1KDM4E | |
| SCHEMBL14530029 | 0.76 | PARP1 (0.55) | PARP1TSHRALDH1A1CA12CA1 | |
| SCHEMBL9612303 | 0.76 | PARP1 (0.55) | PARP1TSHRALDH1A1CA12CA1 | |
| 3-Aminobenzoic Acid SCHEMBL28231735 | 0.76 | PBRM1 (0.70) | KMOTSHRPBRM1ALDH1A1KDM4E | |
| SCHEMBL1499340 | 0.76 | PARP1 (0.70) | PARP1KMOTSHRALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113912617-A | Substituted tricycles and methods of use | 艾伯维公司 | 2022-01-11 | — | — | CN | disclosed |
| CN-108349930-B | Substituted tricycles and methods of use | 艾伯维公司 | 2021-10-29 | — | — | CN | disclosed |