Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 5/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 3/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL9032034 | 0.90 | TDP1 (0.38) | TDP1TP53MDM2KDM1AALDH1A1 | |
| SCHEMBL2189767 | 0.83 | TP53 (0.43) | TDP1TP53MDM2KDM1AALDH1A1 | |
| SCHEMBL2190043 | 0.83 | TP53 (0.43) | TDP1TP53MDM2KDM1AALDH1A1 | |
| SCHEMBL2190045 | 0.83 | TP53 (0.43) | TDP1TP53MDM2KDM1AALDH1A1 | |
| SCHEMBL2189775 | 0.83 | TP53 (0.43) | TDP1TP53MDM2KDM1AALDH1A1 | |
| SCHEMBL2189771 | 0.83 | TP53 (0.43) | TDP1TP53MDM2KDM1AALDH1A1 | |
| SCHEMBL21057720 | 0.83 | GSK3B (0.47) | TDP1TP53MDM2KDM1ASMN1; SMN2 | |
| SCHEMBL21104516 | 0.83 | GSK3B (0.47) | TDP1TP53MDM2KDM1ASMN1; SMN2 | |
| SCHEMBL8537684 | 0.83 | TP53 (0.49) | TDP1TP53MDM2KDM1AALDH1A1 | |
| SCHEMBL21057797 | 0.83 | GSK3B (0.47) | TDP1TP53MDM2KDM1ASMN1; SMN2 |
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-5728716-A | Aralkylamino substituted azacyclic therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |
| EP-0741704-A1 | ARALKYLAMINO SUBSTITUTED AZACYCLIC THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1996-11-13 | — | — | EP | disclosed |
| WO-1995020575-A1 | ARALKYLAMINO SUBSTITUTED AZACYCLIC THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-08-03 | — | — | WO | disclosed |