Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | EDNRB | P24530 | 3/20 | 0.31 |
| ▸ | EDNRA | P25101 | 3/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | HTR7 | P34969 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5709139 | 0.81 | PDCD1 (0.35) | PDCD1CD274CHRNB2CHRNA4BRD4 | |
| Hydrochloric Acid SCHEMBL4079019 | 0.81 | PDCD1 (0.35) | PDCD1CD274CHRNB2CHRNA4BRD4 | |
| Hydrochloric Acid SCHEMBL29424589 | 0.81 | PDCD1 (0.35) | PDCD1CD274CHRNB2CHRNA4BRD4 | |
| SCHEMBL5694274 | 0.81 | PDCD1 (0.37) | PDCD1CD274CHRNB2CHRNA4BRD4 | |
| SCHEMBL27494089 | 0.80 | PDCD1 (0.34) | PDCD1CD274CHRNB2CHRNA4BRD4 | |
| SCHEMBL28550963 | 0.79 | PDCD1 (0.36) | PDCD1CD274CHRNB2CHRNA4BRD4 | |
| SCHEMBL27478125 | 0.79 | PDCD1 (0.36) | PDCD1CD274CHRNB2CHRNA4BRD4 | |
| SCHEMBL4603520 | 0.79 | PDCD1 (0.36) | PDCD1CD274CHRNB2CHRNA4BRD4 | |
| SCHEMBL7525652 | 0.79 | PDCD1 (0.36) | PDCD1CD274CHRNB2CHRNA4BRD4 | |
| SCHEMBL6544268 | 0.79 | PDCD1 (0.36) | PDCD1CD274CHRNB2CHRNA4BRD4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0883623-B1 | PREPARATION OF CHIRAL TITANOCENES | BOULDER SCIENT CO (US) | 2003-03-05 | — | — | EP | disclosed |
| EP-0883623-A4 | PREPARATION OF CHIRAL TITANOCENES | BOULDER SCIENT CO (US) | 2000-06-28 | — | — | EP | disclosed |
| EP-0883623-A1 | PREPARATION OF CHIRAL TITANOCENES | BOULDER SCIENTIFIC COMPANY (US) | 1998-12-16 | — | — | EP | disclosed |
| US-5847176-A | Preparation of chiral titanocenes | BOULDER SCIENTIFIC COMPANY (US) | 1998-12-08 | — | — | US | disclosed |
| WO-1998022477-A1 | PREPARATION OF CHIRAL TITANOCENES | BOULDER SCIENTIFIC COMPANY (US) | 1998-05-28 | — | — | WO | disclosed |