Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6600269 | 0.76 | FKBP1A (0.44) | TDP1ACEATM | |
| SCHEMBL7264269 | 0.75 | FKBP1A (0.62) | PREPACE | |
| Hydrochloric Acid SCHEMBL7265458 | 0.74 | FKBP1A (0.61) | PREPACE | |
| SCHEMBL15778534 | 0.73 | DPP4 (0.44) | PREPALDH1A1ACE | |
| Hydrochloric Acid SCHEMBL11269585 | 0.73 | DPP8 (0.48) | PREPCYP3A4CYP2C9TSHRMAPT | |
| SCHEMBL30187740 | 0.73 | FKBP1A (0.54) | PREPKMT2AACECTRB1KDM1A | |
| Glycyl Proline SCHEMBL28119301 | 0.72 | ALDH1A1 (0.43) | MAPTTDP1ALDH1A1ACE | |
| SCHEMBL28465649 | 0.72 | HTR2A (0.44) | TSHRMAPTKMT2AALDH1A1 | |
| SCHEMBL28465646 | 0.72 | HTR2A (0.44) | TSHRMAPTKMT2AALDH1A1 | |
| SCHEMBL7406086 | 0.72 | PREP (0.49) | PREPCYP3A4CYP2C9TSHRMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0451547-B1 | 1,4,8-Triazacyclotridecane derivatives having prolyl endopeptidase inhibiting activity | BRISTOL MYERS SQUIBB CO (US) | 1993-12-29 | — | — | EP | disclosed |
| US-5073549-A | Antiamnesia, antidementia | BRISTOL-MYERS SQUIBB COMPANY (US) | 1991-12-17 | — | — | US | disclosed |
| EP-0451547-A1 | 1,4,8-Triazacyclotridecane derivatives having prolyl endopeptidase inhibiting activity | Bristol-Myers Squibb Company (US) | 1991-10-16 | — | — | EP | disclosed |
| US-4999349-A | Antiamnesics, antidementia agents, antibiotics | BRISTOL-MYERS SQUIBB CO. (US) | 1991-03-12 | — | — | US | disclosed |