Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7400936 | 0.78 | TSHR (0.53) | ALDH1A1CA12MMP2MEN1KMT2A | |
| SCHEMBL28774904 | 0.78 | TSHR (0.53) | ALDH1A1CA12MMP2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7400349 | 0.77 | TSHR (0.51) | ALDH1A1CA12MMP2MEN1KMT2A | |
| SCHEMBL233005 | 0.74 | CA12 (0.48) | ALDH1A1CA12MMP2MEN1KMT2A | |
| SCHEMBL233006 | 0.74 | CA12 (0.48) | ALDH1A1CA12MMP2MEN1KMT2A | |
| SCHEMBL7419533 | 0.73 | CA12 (0.47) | ALDH1A1CA12MMP2MEN1KMT2A | |
| Methane SCHEMBL28130556 | 0.73 | CA12 (0.47) | ALDH1A1CA12MMP2MEN1KMT2A | |
| SCHEMBL4838298 | 0.72 | FAAH (0.45) | ALDH1A1KMT2AMAPTHTTTDP1 | |
| SCHEMBL7373973 | 0.71 | MAPT (0.55) | ALDH1A1CA12MMP2MEN1KMT2A | |
| SCHEMBL7373970 | 0.71 | MAPT (0.55) | ALDH1A1CA12MMP2MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | disclosed |