Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | SCN1A | P35498 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11686826 | 0.87 | ALDH1A1 (0.54) | ESR1CYP1A2TSHRLMNACYP2C19 | |
| SCHEMBL868005 | 0.83 | CYP1A2 (0.59) | ESR1CYP1A2LMNACYP3A4ALDH1A1 | |
| SCHEMBL31530755 | 0.83 | PKM (0.51) | ESR1CYP1A2TSHRLMNACYP2C19 | |
| Hydrochloric Acid SCHEMBL27783042 | 0.82 | CYP1A2 (0.57) | ESR1CYP1A2LMNACYP3A4ALDH1A1 | |
| SCHEMBL5925655 | 0.81 | CYP2D6 (0.66) | CYP1A2TSHRLMNACYP2C19CYP3A4 | |
| Acetic Acid SCHEMBL5925599 | 0.80 | CYP1A2 (0.54) | ESR1CYP1A2LMNACYP2C19CYP3A4 | |
| SCHEMBL20400956 | 0.78 | KMT2A (0.58) | LMNAALDH1A1RAB9ANPC1MAPT | |
| Acetic Acid SCHEMBL5925574 | 0.78 | CYP2D6 (0.62) | CYP1A2TSHRLMNACYP2C19CYP3A4 | |
| SCHEMBL826694 | 0.77 | ALDH1A1 (0.61) | LMNAALDH1A1RAB9ANPC1MAPT | |
| SCHEMBL8897849 | 0.76 | ALDH1A1 (0.65) | ESR1CYP1A2TSHRLMNACYP2C19 |
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-5106943-A | Molding materials; blend of trimer of polyisocyanate, epoxy compounds, and aromatic polyamine | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-21 | — | — | US | disclosed |
| EP-0421393-A2 | Resin, compositions, shaped articles, and methods for manufacture | Takeda Chemical Industries, Ltd. (JP) | 1991-04-10 | — | — | EP | disclosed |