Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 5/20 | 0.54 |
| ▸ | ACP3 | P15309 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7755649 | 1.00 | CTSB (0.54) | CTSBACP3TDP1ALDH1A1AR | |
| SCHEMBL9168389 | 0.84 | ACP3 (0.70) | ACP3ALDH1A1SMN1; SMN2 | |
| SCHEMBL4953170 | 0.81 | ALDH1A1 (0.56) | ACP3ALDH1A1NPC1HTTRAB9A | |
| SCHEMBL1562772 | 0.79 | TDP1 (0.57) | CTSBTDP1ALDH1A1ARHPRT1 | |
| SCHEMBL7788656 | 0.78 | TDP1 (0.80) | CTSBTDP1ALDH1A1ARHPRT1 | |
| SCHEMBL7755655 | 0.78 | CTSB (0.40) | CTSBACP3TDP1ALDH1A1AR | |
| SCHEMBL5577224 | 0.77 | TDP1 (0.55) | CTSBTDP1ALDH1A1ARHPRT1 | |
| SCHEMBL3092848 | 0.77 | TDP1 (0.55) | CTSBTDP1ALDH1A1ARHPRT1 | |
| SCHEMBL3092837 | 0.77 | TDP1 (0.55) | CTSBTDP1ALDH1A1ARHPRT1 | |
| SCHEMBL24325397 | 0.77 | CTSB (0.44) | CTSBTDP1ALDH1A1ARKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0769015-B1 | PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-03-14 | — | — | EP | disclosed |
| US-5716944-A | USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-10 | — | — | US | disclosed |