Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8663258 | 0.88 | ALDH1A1 (0.45) | TSHRALDH1A1ATMNPSR1GPR84 | |
| SCHEMBL8664627 | 0.84 | ALDH1A1 (0.40) | TSHRALDH1A1ATMNPSR1GPR84 | |
| SCHEMBL7195015 | 0.84 | GPR84 (0.60) | TSHRALDH1A1ATMNPSR1GPR84 | |
| SCHEMBL1611133 | 0.84 | TSHR (0.49) | TSHRALDH1A1ATMNPSR1GPR84 | |
| SCHEMBL8664369 | 0.82 | GPR84 (0.39) | TSHRALDH1A1ATMNPSR1GPR84 | |
| SCHEMBL1609686 | 0.78 | TSHR (0.47) | TSHRALDH1A1ATMNPSR1GPR84 | |
| SCHEMBL16638077 | 0.78 | SMN1; SMN2 (0.59) | TSHRALDH1A1ATMNPSR1GPR84 | |
| SCHEMBL3453144 | 0.78 | TSHR (0.53) | TSHRALDH1A1ATMNPSR1GPR84 | |
| SCHEMBL1609629 | 0.78 | TSHR (0.53) | TSHRALDH1A1ATMNPSR1GPR84 | |
| SCHEMBL18584142 | 0.78 | GPR84 (0.55) | TSHRALDH1A1ATMNPSR1GPR84 |
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 |
|---|---|---|---|---|---|---|---|
| US-5631203-A | Metallocene compounds and preparation thereof containing terminal alkynes | PHILLIPS PETROLEUM COMPANY (US) | 1997-05-20 | — | — | US | claimed |
| US-5744666-A | Process for preparing an alkynyl fulvene group containing compound and said compound | PHILLIPS PETROLEUM COMPANY (US) | 1998-04-28 | — | — | US | disclosed |
| US-5728908-A | Process for preparing a bridged ligand and said bridged ligand | PHILLIPS PETROLEUM COMPANY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5631203-A | Metallocene compounds and preparation thereof containing terminal alkynes | PHILLIPS PETROLEUM COMPANY (US) | 1997-05-20 | — | — | US | disclosed |