Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL909638 | 0.80 | TSHR (0.52) | TSHRHTTPOLBCYP19A1ALDH1A1 | |
| SCHEMBL909296 | 0.73 | TSHR (0.45) | TSHRHTTPOLBCYP19A1ALDH1A1 | |
| SCHEMBL15526428 | 0.73 | TSHR (0.50) | TSHRHTTPOLBCYP19A1ALDH1A1 | |
| SCHEMBL909497 | 0.72 | ALDH1A1 (0.47) | TSHRHTTPOLBCYP19A1ALDH1A1 | |
| SCHEMBL5868210 | 0.71 | PTGS2 (0.41) | TSHRHTTCYP19A1ALDH1A1CYP3A4 | |
| SCHEMBL2880510 | 0.69 | ACP1 (0.43) | TSHRHTTPOLBCYP19A1ALDH1A1 | |
| SCHEMBL4086848 | 0.69 | KMT2A (0.48) | TSHRHTTPOLBCYP19A1ALDH1A1 | |
| SCHEMBL1171984 | 0.69 | CYP19A1 (0.52) | TSHRHTTPOLBCYP19A1ALDH1A1 | |
| SCHEMBL15109861 | 0.68 | ALDH1A1 (0.44) | TSHRHTTPOLBCYP19A1ALDH1A1 | |
| SCHEMBL909695 | 0.68 | VCAM1 (0.48) | TSHRHTTPOLBCYP19A1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4104270-A | Process for the manufacture of aromatic phosphonates | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-08-01 | — | — | US | claimed |
| US-4085128-A | ANTITUMOR, IMMUNOSUPPRESANTS | SHIONOGI & CO., LTD. (JA) | 1978-04-18 | — | — | US | claimed |
| US-4104270-A | Process for the manufacture of aromatic phosphonates | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-08-01 | — | — | US | disclosed |