Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 14/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9491640 | 0.83 | ACHE (0.58) | HRH4HRH3ACHETSHRCYP3A4 | |
| SCHEMBL21359048 | 0.83 | ACHE (0.50) | HRH4HRH3ACHENPC1RAB9A | |
| SCHEMBL21359183 | 0.81 | ACHE (0.49) | HRH4HRH3ACHENPC1RAB9A | |
| SCHEMBL844954 | 0.81 | HRH4 (0.53) | HRH4HRH3ACHESMN1; SMN2LMNA | |
| SCHEMBL25710489 | 0.79 | ACHE (0.58) | HRH4HRH3ACHE | |
| SCHEMBL23878446 | 0.78 | TSHR (0.57) | HRH4HRH3SMN1; SMN2LMNATSHR | |
| SCHEMBL28598856 | 0.78 | TSHR (0.57) | HRH4HRH3SMN1; SMN2LMNATSHR | |
| Ammonia Solution, Strong SCHEMBL9998720 | 0.78 | TSHR (0.57) | HRH4HRH3SMN1; SMN2LMNATSHR | |
| SCHEMBL15128210 | 0.77 | HRH4 (0.54) | HRH4HRH3ACHESMN1; SMN2LMNA | |
| SCHEMBL24928820 | 0.77 | TSHR (0.53) | HRH4HRH3SMN1; SMN2LMNATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5554787-A | CHEMICAL INTERMEDIATES FOR POLYURETHANES | BASF AKTIENGESELLSCHAFT (DE) | 1996-09-10 | — | — | US | disclosed |
| EP-0449110-B1 | 2,2-Dialkylpentane-1,5-diisocyanates, -diurethanes, and -dicarbamic acid chlorides, process for their preparation and their use | BASF AG (DE) | 1996-06-05 | — | — | EP | disclosed |
| EP-0449110-A2 | 2,2-Dialkylpentane-1,5-diisocyanates, -diurethanes, and -dicarbamic acid chlorides, process for their preparation and their use | BASF Aktiengesellschaft (DE) | 1991-10-02 | — | — | EP | disclosed |