Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.43 |
| ▸ | PRKDC | P78527 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 5/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.40 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.40 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.40 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5622916 | 0.87 | ERN1 (0.50) | ALDH1A1TSHRKDM4ETDP1ERN1 | |
| SCHEMBL27921460 | 0.86 | ALDH1A1 (0.58) | ALDH1A1TSHRKDM4ETDP1PRKDC | |
| SCHEMBL29950818 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4ETDP1TUBB1 | |
| SCHEMBL26383587 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4ETDP1TUBB1 | |
| SCHEMBL5221782 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4ETDP1TUBB1 | |
| SCHEMBL26473036 | 0.79 | TUBB1 (0.48) | ALDH1A1KDM4ETDP1TUBB1LMNA | |
| Formic Acid SCHEMBL27768982 | 0.79 | TSHR (0.47) | ALDH1A1TSHRKDM4ETDP1HPGD | |
| SCHEMBL26979442 | 0.78 | EPAS1 (0.33) | ALDH1A1TSHRKDM4ETDP1 | |
| SCHEMBL8188871 | 0.77 | ALDH1A1 (0.49) | ALDH1A1TSHRKDM4ETDP1TUBB1 | |
| SCHEMBL30360640 | 0.77 | CA2 (0.48) | ALDH1A1TSHRKDM4EMAPTPOLB |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-0503079-A1 | PYRIDAZINONE-SUBSTITUTED ETHYNYLPHENYL DERIVATIVE AND REMEDY FOR CIRCULATORY ORGAN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1992-09-16 | — | — | EP | disclosed |