Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8664369 | 0.94 | GPR84 (0.39) | ALDH1A1TSHRATMNPSR1GPR84 | |
| SCHEMBL8664627 | 0.88 | ALDH1A1 (0.40) | ALDH1A1TSHRATMNPSR1GPR84 | |
| SCHEMBL8662544 | 0.88 | TSHR (0.49) | ALDH1A1TSHRATMNPSR1GPR84 | |
| SCHEMBL1612279 | 0.86 | TSHR (0.45) | ALDH1A1TSHRATMNPSR1GPR84 | |
| SCHEMBL1610800 | 0.86 | TSHR (0.45) | ALDH1A1TSHRATMNPSR1GPR84 | |
| SCHEMBL1611215 | 0.84 | TSHR (0.46) | ALDH1A1TSHRATMNPSR1GPR84 | |
| SCHEMBL1610542 | 0.81 | TSHR (0.48) | ALDH1A1TSHRATMNPSR1GPR84 | |
| SCHEMBL17697931 | 0.81 | HTR2A (0.59) | ALDH1A1TSHRATMNPSR1GPR84 | |
| SCHEMBL1611130 | 0.81 | TSHR (0.48) | ALDH1A1TSHRATMNPSR1GPR84 | |
| SCHEMBL9597806 | 0.81 | HTR2A (0.59) | ALDH1A1TSHRATMNPSR1GPR84 |
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 |