Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CTSC | P53634 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29010885 | 0.84 | ALDH1A1 (0.44) | MMP1MMP2MMP9MMP12TSHR | |
| SCHEMBL7410740 | 0.82 | EPHX1 (0.54) | TSHRELANEHTR2CHTR2BKMT2A | |
| SCHEMBL630517 | 0.80 | TSHR (0.63) | TSHRELANEHTR2CHTR2BALDH1A1 | |
| SCHEMBL693351 | 0.80 | TSHR (0.63) | TSHRELANEHTR2CHTR2BALDH1A1 | |
| SCHEMBL4069956 | 0.80 | TSHR (0.63) | TSHRELANEHTR2CHTR2BALDH1A1 | |
| SCHEMBL12869701 | 0.80 | ALDH1A1 (0.45) | TSHRELANEHTR2CHTR2BKMT2A | |
| Hydrochloric Acid SCHEMBL693350 | 0.79 | TSHR (0.65) | TSHRELANEHTR2CHTR2BALDH1A1 | |
| Hydrochloric Acid SCHEMBL1000787 | 0.79 | TSHR (0.65) | TSHRELANEHTR2CHTR2BALDH1A1 | |
| Hydrochloric Acid SCHEMBL630516 | 0.79 | TSHR (0.65) | TSHRELANEHTR2CHTR2BALDH1A1 | |
| SCHEMBL7020047 | 0.78 | BACE1 (0.48) | MMP1TSHRHTR2CHTR2BMAPT |
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-117980310-A | Alkylene derivatives as KRAS inhibitors | 尼坎治疗公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-115843257-A | Conjugates for selective responsiveness to vicinal diols | 原聚体科技公司 | 2023-03-24 | — | — | CN | disclosed |