Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | USP2 | O75604 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | CASP1 | P29466 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.63 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.63 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.51 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.50 |
| ▸ | TACR2 | P21452 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9036035 | 0.95 | HTR2A (0.62) | HTR2AALDH1A1LMNACYP3A4MEN1 | |
| SCHEMBL27043855 | 0.93 | HTR2A (0.65) | HTR2AALDH1A1LMNACYP3A4MEN1 | |
| SCHEMBL27944579 | 0.93 | HTR2A (0.65) | HTR2AALDH1A1LMNACYP3A4MEN1 | |
| SCHEMBL27944557 | 0.93 | HTR2A (0.65) | HTR2AALDH1A1LMNACYP3A4MEN1 | |
| SCHEMBL27033062 | 0.93 | HTR2A (0.65) | HTR2AALDH1A1LMNACYP3A4MEN1 | |
| SCHEMBL27954267 | 0.93 | HTR2A (0.65) | HTR2AALDH1A1LMNACYP3A4MEN1 | |
| SCHEMBL27944556 | 0.93 | HTR2A (0.65) | HTR2AALDH1A1LMNACYP3A4MEN1 | |
| SCHEMBL27954266 | 0.93 | HTR2A (0.65) | HTR2AALDH1A1LMNACYP3A4MEN1 | |
| SCHEMBL11932188 | 0.91 | HTR2A (0.61) | HTR2AALDH1A1LMNACYP3A4MEN1 | |
| SCHEMBL9215261 | 0.91 | ALDH1A1 (0.73) | HTR2AALDH1A1LMNACYP3A4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1184364-B1 | COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2010-07-28 | — | — | EP | disclosed |
| US-6515050-B1 | An extruding auxiliary using the above novel water-soluble polyurethane; additive for underwater concrete | MITSUI CHEMICALS, INC. (JP) | 2003-02-04 | — | — | US | disclosed |
| EP-1184364-A1 | COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2002-03-06 | — | — | EP | disclosed |