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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | PTGER3 | P43115 | 5/20 | 0.49 |
| ▸ | PTGER2 | P43116 | 5/20 | 0.49 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.49 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | TNKS | O95271 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
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 SCHEMBL1879653 | 1.00 | CA1 (0.53) | CA1CA2NFKB1CA4PTGER3 | |
| SCHEMBL78555 | 0.91 | CA1 (0.62) | CA1CA2NFKB1CA4PTGER3 | |
| SCHEMBL29386378 | 0.91 | CA1 (0.62) | CA1CA2NFKB1CA4PTGER3 | |
| SCHEMBL78556 | 0.91 | CA1 (0.62) | CA1CA2NFKB1CA4PTGER3 | |
| SCHEMBL2425317 | 0.91 | CA1 (0.62) | CA1CA2NFKB1CA4PTGER3 | |
| SCHEMBL5666241 | 0.89 | CA1 (0.60) | CA1CA2NFKB1CA4PTGER3 | |
| Ammonia Solution, Strong SCHEMBL6324720 | 0.89 | CA1 (0.60) | CA1CA2NFKB1CA4PTGER3 | |
| Hydrochloric Acid SCHEMBL9445634 | 0.89 | CA1 (0.60) | CA1CA2NFKB1CA4PTGER3 | |
| Ammonia Solution, Strong SCHEMBL6324726 | 0.89 | CA1 (0.60) | CA1CA2NFKB1CA4PTGER3 | |
| SCHEMBL5666236 | 0.89 | CA1 (0.60) | CA1CA2NFKB1CA4PTGER3 |
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-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 |
| WO-2007123957-A2 | BISPHOSPHOLANES FOR USE AS CATALYSTS IN ASYMMETRIC REACTIONS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2007-11-01 | — | — | WO | 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 | CA1 1774/4885CA2 827/4885NFKB1 4077/4885 |
“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.