Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPI | P09923 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | XIAP | P98170 | 1/20 | 0.53 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.53 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.49 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Tert-Butylamine SCHEMBL1880991 | 1.00 | ALPI (0.53) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Tert-Butylamine SCHEMBL1883188 | 1.00 | ALPI (0.53) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL265135 | 0.90 | CYP1A2 (0.61) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL265577 | 0.90 | CYP1A2 (0.61) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL65930 | 0.90 | CYP1A2 (0.61) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL27514358 | 0.88 | CYP1A2 (0.59) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Water SCHEMBL10936876 | 0.88 | CYP1A2 (0.59) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL11237591 | 0.82 | TBXAS1 (0.59) | PTGS1SLC7A5TBXAS1CYP1A2HPGD | |
| Questiomycin B SCHEMBL27458536 | 0.80 | TSHR (0.48) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL6649419 | 0.79 | HPGD (0.53) | ALPIPKMPTGS1XIAPSLC7A5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7935841-B2 | Bisphospholanes for use as catalysts in asymmetric reactions | DR. REDDY'S LABORATORIES LIMITED (IN) | 2011-05-03 | — | — | US | disclosed |
| US-20090099358-A1 | BISPHOSPHOLANES FOR USE AS CATALYSTS IN ASYMMETRIC REACTIONS | JACKSON PHILIP M | 2009-04-16 | — | — | 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 (1 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-20090099358-A1 | BISPHOSPHOLANES FOR USE AS CATALYSTS IN ASYMMETRIC REACTIONS | BPGM, PFKFB3, PFKFB4 | ALPI 1965/4885PKM 1829/4885PTGS1 2589/4885 |
“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.