Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CHRND | Q07001 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9448915 | 0.87 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2AHTTHIF1A | |
| SCHEMBL9448906 | 0.84 | TSHR (0.52) | ALDH1A1MEN1KMT2AHTTHIF1A | |
| SCHEMBL30345150 | 0.80 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AHTTHIF1A | |
| SCHEMBL9448974 | 0.80 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AHTTHIF1A | |
| SCHEMBL3867227 | 0.79 | TSHR (0.49) | ALDH1A1MEN1KMT2AHTTHIF1A | |
| Water SCHEMBL11073909 | 0.77 | HPGD (0.47) | ALDH1A1MEN1KMT2AHPGDCHRNA1 | |
| SCHEMBL12939226 | 0.77 | GAA (0.49) | ALDH1A1MEN1KMT2AHPGDCHRNA1 | |
| SCHEMBL9137796 | 0.77 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AHTTHIF1A | |
| SCHEMBL3932495 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AHTTHIF1A | |
| SCHEMBL20496758 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AHTTHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0466730-B1 | GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS | THE UPJOHN COMPANY (US) | 1993-07-21 | — | — | EP | disclosed |
| US-5220021-A | Geminal bisphosphonic acids and derivatives as anti-arthritic agents | THE UPJOHN COMPANY (US) | 1993-06-15 | — | — | US | disclosed |
| WO-1990012017-A1 | GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS | THE UPJOHN COMPANY (US) | 1990-10-18 | — | — | WO | disclosed |