Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | MARS1 | P56192 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2721346 | 0.83 | ALDH1A1 (0.64) | ALDH1A1KMT2ATSHRLMNATP53 | |
| SCHEMBL28643711 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KMT2ATSHRLMNATP53 | |
| SCHEMBL12615992 | 0.71 | ALDH1A1 (0.68) | ALDH1A1KMT2ATSHRNPSR1KDM4E | |
| SCHEMBL3260347 | 0.71 | ALDH1A1 (0.58) | ALDH1A1KMT2ATSHRLMNANPSR1 | |
| SCHEMBL4203255 | 0.70 | ALDH1A1 (0.49) | ALDH1A1KMT2ATSHRLMNANPSR1 | |
| SCHEMBL4202205 | 0.70 | ALDH1A1 (0.51) | ALDH1A1TSHRLMNATP53NPSR1 | |
| SCHEMBL4205521 | 0.70 | ALDH1A1 (0.49) | ALDH1A1KMT2ATSHRTP53NPSR1 | |
| SCHEMBL5785730 | 0.70 | ALDH1A1 (0.68) | ALDH1A1KMT2ATSHRLMNAKDM4E | |
| SCHEMBL8179017 | 0.69 | ALDH1A1 (0.54) | ALDH1A1KMT2ATSHRLMNATP53 | |
| SCHEMBL1501174 | 0.69 | CA1 (0.58) | ALDH1A1TSHRLMNATP53NPSR1 |
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-1019410-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2000-07-19 | — | — | EP | disclosed |
| US-6060469-A | Spiro-piperidine derivatives and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2000-05-09 | — | — | US | disclosed |
| WO-1997019084-A1 | SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |