Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6565308 | 0.90 | TSHR (0.59) | TP53TSHRCYP2C19NPC1RAB9A | |
| SCHEMBL6229562 | 0.90 | TSHR (0.59) | TP53TSHRCYP2C19NPC1RAB9A | |
| SCHEMBL5388738 | 0.90 | TSHR (0.59) | TP53TSHRCYP2C19NPC1RAB9A | |
| SCHEMBL5374431 | 0.90 | TSHR (0.59) | TP53TSHRCYP2C19NPC1RAB9A | |
| Acetonitrile SCHEMBL17909910 | 0.82 | TP53 (0.58) | TP53TSHRPKMAPEX1CYP2C19 | |
| Water SCHEMBL3859934 | 0.82 | TP53 (0.66) | TP53TSHRPKMAPEX1CYP2C19 | |
| Water SCHEMBL1322822 | 0.82 | TP53 (0.66) | TP53TSHRPKMAPEX1CYP2C19 | |
| Water SCHEMBL743190 | 0.82 | TP53 (0.66) | TP53TSHRPKMAPEX1CYP2C19 | |
| SCHEMBL72171 | 0.80 | TP53 (0.68) | TP53TSHRPKMAPEX1CYP2C19 | |
| SCHEMBL72682 | 0.80 | TP53 (0.68) | TP53TSHRPKMAPEX1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7301044-B2 | Preparation of chiral amino-nitriles | PFIZER INC. (US) | 2007-11-27 | — | — | US | disclosed |
| EP-1517877-A1 | PREPARATION OF CHIRAL AMINO-NITRILES | PCBU Services, Inc. (US) | 2005-03-30 | — | — | EP | disclosed |
| US-20050038281-A1 | Preparation of chiral amino-nitriles | PFIZER INC. | 2005-02-17 | — | — | US | disclosed |
| WO-2004002924-A1 | PREPARATION OF CHIRAL AMINO-NITRILES | PCBU SERVICES, INC. (US) | 2004-01-08 | — | — | WO | disclosed |
| US-20040002615-A1 | PREPARATION OF CHIRAL AMINO-NITRILES | PFIZER INC. | 2004-01-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050038281-A1 | Preparation of chiral amino-nitriles | NOS3, NOS1, NOS2 | TP53 3927/4885TSHR 4098/4885PKM 3321/4885 |
| US-20040002615-A1 | PREPARATION OF CHIRAL AMINO-NITRILES | NOS3, NOS1, NOS2 | TP53 3927/4885TSHR 4098/4885PKM 3321/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.