Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 9/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.65 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA3 | P07451 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 2/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| Isoamylamine SCHEMBL624050 | 0.88 | DNM1 (0.50) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL23631179 | 0.84 | DNM1 (0.72) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL28220393 | 0.84 | — | — | |
| SCHEMBL27921131 | 0.84 | — | — | |
| SCHEMBL27637578 | 0.84 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL27939655 | 0.84 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Dodecylamine SCHEMBL27921132 | 0.84 | DNM1 (0.93) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Tert-Butylamine SCHEMBL29180642 | 0.81 | DNM1 (0.77) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Tert-Butylamine SCHEMBL5515778 | 0.81 | DNM1 (0.77) | DNM1TSHRMEN1KMT2AALDH1A1 | |
| Octadecylamine SCHEMBL5509679 | 0.81 | DNM1 (0.87) | DNM1TSHRMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017205786-A1 | CELL PERMEABLE PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2017-11-30 | — | — | WO | disclosed |
| WO-2012173846-A2 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2012-12-20 | — | — | WO | disclosed |
| WO-2012021875-A1 | PEPTIDOMIMETIC MACROCYCLES WITH TRIAZOLE LINKERS | AILERON THERAPEUTICS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |